m-Anisidine - ≥98% , CAS No.536-90-3

CAS: 536-90-3 Cat. No.: A107482 분자식: C₇H₉NO 분자량: 123.15 Beilstein Registry Number: 386119 EC 번호: 208-651-4

GRADE & PURITY ≥98%

Synonyms

FT-0628164 | 3-methoxy-benzenamine | 3-Aminoanisole | EN300-19067 | 3-Methoxy aniline | NCGC00091221-02 | 3-methyoxy-aniline | m-Methoxyaniline | 3-Anisidine | 3-Methoxy-1-aminobenzene | Benzenamine, 3-methoxy- | CCRIS 5886 | SCHEMBL66692 | 3-methoxypheny

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

개요

 The unusually large amount of dibromo product produced upon bromination of m-anisidine may be attributed to the two doubly activeated positions. The best enantioselectivity of 97 % ee was observed for the reaction of m-anisidine in organocatalytic asymmetric three-component cyclization of cinnamaldehydes and primary amines with 1, 3-Dicarbonyl Compounds. Evidence for the control of 2nd-harmonic generation activities from the x-ray crystal-structures of the complexes of l-tartaric acid with m-anisidine and p-toluidine was determined.

Specifications

동의어

FT-0628164 | 3-methoxy-benzenamine | 3-Aminoanisole | EN300-19067 | 3-Methoxy aniline | NCGC00091221-02 | 3-methyoxy-aniline | m-Methoxyaniline | 3-Anisidine | 3-Methoxy-1-aminobenzene | Benzenamine, 3-methoxy- | CCRIS 5886 | SCHEMBL66692 | 3-methoxypheny

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice,FedEx DG Service

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504752010
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752010
• 정식 스마일: COC1=CC=CC(=C1)N
• IUPAC Name: 3-methoxyaniline
• InChIKey: NCBZRJODKRCREW-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
• 이성체 SMILES: COC1=CC=CC(=C1)N
• WGK 독일: 3
• RTECS: BZ5408000
• UN 번호: 2431
• 포장 그룹: III
• 분자량: 123.15
• Beilstein: 386119
• Reaxy-Rn: 386119
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386119&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• External Descriptors: Not available

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)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water(18g/L).
• 감도: Light sensitive;Air sensitive;Heat sensitive
• 굴절률: 1.581
• 발화점(°F): 258.8 °F
• 발화점(°C): 126 °C
• 끓는점(°C): 251°C
• 녹는점(°C): -1-1°C
• 분자량: 123.150 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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. Yiran Xu, Hongyan Yao, Hao Su, Bo Jiang, Kaixiang Shi, Weixing Song, Shiyang Zhu, Shaowei Guan, Ying Song.  (2023)  Donor-acceptor hyperbranched copolyimides contain different linear segment for electrochromic and resistive memory devices.  Materials Today Communications,      [PMID:] [10.1016/j.mtcomm.2023.107572]

2. Chongyang Zhang, Mengzhu Li, Handong Sun, Xigui Yue.  (2021)  Breath figure-derived porous fluorine-containing poly(ether sulfone) membranes with low dielectric constant.  POLYMER INTERNATIONAL,  70  (10): (1456-1464).  [PMID:] [10.1002/pi.6217]

3. Meng Ruan, Qiqin Wang, Huihui Wu, Yuqiang Wang, Hai Han, Zhengjin Jiang.  (2017)  Preparation and evaluation of tert-leucine derivative functionalized polymeric monoliths for micro-liquid chromatography.  ELECTROPHORESIS,      [PMID:28722219] [10.1002/elps.201700176]

4. Xue Wang, Buyuan Guan, Yapeng He, Dong An, Ye Zhang, Yu Cao, Xiang Li, Yunling Liu, Qisheng Huo.  (2015)  Megranate-like nanoreactor with multiple cores and an acidic mesoporous shell for a cascade reaction.  Nanoscale,  7  (8): (3719-3725).  [PMID:25640736] [10.1039/C4NR06341D]