4-Methoxybenzylamine - ≥98% , CAS No.2393-23-9

CAS: 2393-23-9 Cat. No.: M123767 분자식: C₈H₁₁NO 분자량: 137.18 Beilstein Registry Number: 508206 EC 번호: 219-247-2

GRADE & PURITY ≥98%

Synonyms

(4-Methoxyphenyl)methanamine # | (4-methoxyphenyl)methaneamine | D77999 | AMY18068 | 2-[4-(1H-pyrrol-1-yl)phenyl]acetic acid | 3-Methyl-2(3H)-benzoxazolone | AKOS000119610 | {[4-(methyloxy)phenyl]methyl}amine | 1-aminomethyl-4-methoxybenzene | p-methoxybe

Storage

Argon charged,Room temperature

Shipped In

Normal

개요

Product Application：

4-Methoxybenzylamine is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff. It is also used fine chemical intemediate.

Specifications

동의어

(4-Methoxyphenyl)methanamine # | (4-methoxyphenyl)methaneamine | D77999 | AMY18068 | 2-[4-(1H-pyrrol-1-yl)phenyl]acetic acid | 3-Methyl-2(3H)-benzoxazolone | AKOS000119610 | {[4-(methyloxy)phenyl]methyl}amine | 1-aminomethyl-4-methoxybenzene | p-methoxybe

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 508809677
• 정식 스마일: COC1=CC=C(C=C1)CN
• IUPAC Name: (4-methoxyphenyl)methanamine
• InChIKey: IDPURXSQCKYKIJ-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
• 이성체 SMILES: COC1=CC=C(C=C1)CN
• WGK 독일: 3
• 분자량: 137.18
• Beilstein: 508206
• Reaxy-Rn: 508206
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508206&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Ether - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• External Descriptors: aromatic ether - primary amino compound - aralkylamino compound

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

PRSS1 Tclin Trypsin I (2306 Activities)

Discover Target: PRSS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

AOC3 Amine oxidase, copper containing (44 Activities)

Discover Target: AOC3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: It is highly soluble in water.
• 감도: Air & Moisture Sensitive
• 굴절률: 1.5450 - 1.5490
• 특정 회전[α]: 114°C(237°F)
• 끓는점(°C): 236°C
• 녹는점(°C): -10°C
• 분자량: 137.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Guozhi Zhu, Song Shi, Xiao Feng, Li Zhao, Yinwei Wang, Jieqi Cao, Jin Gao, Jie Xu.  (2022)  Switching Amine Oxidation from Imines to Nitriles by Carbon–Hydrogen Bond Activation via Strong Base Modified Strategy.  ACS Applied Materials & Interfaces,      [PMID:36394950] [10.1021/acsami.2c13418]

2. Li-Hua Du, Meng-Jie Yang, Yue Pan, Ling-Yan Zheng, Shi-Yi Zhang, Zhi-Kai Sheng, Ping-Feng Chen, Xi-Ping Luo.  (2022)  Continuous Flow Biocatalysis: Synthesis of Coumarin Carboxamide Derivatives by Lipase TL IM from Thermomyces lanuginosus.  Catalysts,  12  (3): (339).  [PMID:] [10.3390/catal12030339]

3. Jun Dai, Juan Yang, Xiaohan Wang, Lei Zhang, Yingjie Li.  (2015)  Enhanced visible-light photocatalytic activity for selective oxidation of amines into imines over TiO2(B)/anatase mixed-phase nanowires.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2015.04.232]

4. Liyi Tang, Yangsen Xu, Shuang Tang, Yu-Xiang Yu, Aiyun Meng, Xinzhong Wang, Wei-De Zhang.  (2025)  In situ construction of Mn3O4 cocatalyst on sodium poly(heptazine imides) for enhanced photocatalytic reduction of water and synergetic oxidation of amines.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40020482] [10.1016/j.jcis.2025.02.151]

5. Ye Meng, Jinshu Huang, Jie Li, Yumei Jian, Song Yang, Hu Li.  (2023)  Enzyme-mimicking single atoms enable selectivity control in visible-light-driven oxidation/ammoxidation to afford bio-based nitriles.  GREEN CHEMISTRY,  25  (11): (4453-4462).  [PMID:] [10.1039/D3GC00968H]

6. Xiaolu Zhou, Honggang Zhang, Jiari He, Difei Xiao, Zeyan Wang, Peng Wang, Zhaoke Zheng, Hefeng Cheng, Ying Dai, Baibiao Huang, Yuanyuan Liu.  (2025)  Hydroxylation of organic ligand during the synthesis of Bi-based MOFs resulting in extended light absorption and enhanced photocatalytic activity.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.168906]

7. Tao Guo, Danjun Mao, Xiufeng Lu, Wenhao Ma, Heyun Fu, Huan He, Cheng Sun, Shourong Zheng, Zhifeng Jiang, Xiaolei Qu.  (2025)  Interfacial chemical bond accelerating atomic-level charge transfer in step-scheme α-Fe2O3/PbBiO2I for efficient photoconversion of amines to imines.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40349385] [10.1016/j.jcis.2025.137839]

8. Rongjiao Tan, Bingguang Zhang, Xianghong Li, Changjun Yang, Dingguo Tang, Kejian Deng.  (2025)  Photocatalytic activity of asymmetric cobalt thioporphyrazine for selective aerobic oxidation of amines under visible light.  APPLIED CATALYSIS A-GENERAL,      [PMID:] [10.1016/j.apcata.2025.120618]

9. Xu Yanling, Zhou Yue-Wen, Cai Zhen-Feng, Liu Qinlei.  (2026)  Catalyst-Free Oxidative Coupling of Amines to Imines in Microdroplets.  ACS Sustainable Chemistry & Engineering,  14  (30): (13689-13698).  [PMID:] [10.1021/acssuschemeng.6c04665]