7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene（MTBD） - ≥95%(GC) , CAS No.84030-20-6

CAS: 84030-20-6 Cat. No.: M158260 Molecular Weight: 153.23 Beilstein Registry Number: 7635760 EC Number: 281-791-1

GRADE & PURITY ≥95%(GC)

Synonyms

7-methyl-1,5,7-triazabicyclo[4.4.0]deca-5-ene | S8JQ539BWX | LEVOLEUCOVORIN CALCIUM [VANDF] | 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene, 98% | FT-0742384 | 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene, purum, >=98.0% (GC) | AKOS016011068 | 1-Methyl-1,3

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

7-methyl-1,5, 7-triazabicyclic [4.4.0] dece-5-ene is a soluble amine base. It forms 1:1 complexes with 4-nitrophenyl [bis (diethyl sulfonyl)] methane and phenyl [bis (diethyl sulfonyl)] methane, and their structures have been studied semi-empirically by FT-IR, 1H NMR and PM5. The catalytic properties of 7-methyl-1,5, 7-triazabicyclic [4.4.0] dece-5-ene for transesterification of rapeseed oil with methanol have been studied.

Specifications

Synonyms

7-methyl-1, 5, 7-triazabicyclo[4.4.0]deca-5-ene | S8JQ539BWX | LEVOLEUCOVORIN CALCIUM [VANDF] | 7-Methyl-1, 5, 7-triazabicyclo[4.4.0]dec-5-ene, 98% | FT-0742384 | 7-Methyl-1, 5, 7-triazabicyclo[4.4.0]dec-5-ene, purum, >=98.0% (GC) | AKOS016011068 | 1-Methyl-1, 3

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504756940
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756940
• Canonical Smiles: CN1CCCN2C1=NCCC2
• IUPAC Name: 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
• InChIKey: OEBXWWBYZJNKRK-UHFFFAOYSA-N
• INCHI: 1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3
• Isomeric SMILES: CN1CCCN2C1=NCCC2
• WGK Germany: 3
• Molecular Weight: 153.23
• Beilstein: 7635760
• Reaxy-Rn: 6135966
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6135966&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydropyrimidines
• Alternative Parents: Diazinanes Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - 1,3-diazinane - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydropyrimidines. These are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.).
• 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Heat Sensitive
• Refractive Index: 1.54
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 79 °C/0.1 mmHg
• Molecular Weight: 153.220 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 153.127 Da
• Monoisotopic Mass: 153.127 Da
• Topological Polar Surface Area: 18.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 176.000
• 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

References

1. Hongxing Yuan, Wei Gao, Jianqi Ye, Tuotuo Ma, Fangyuan Ma, Dan Wen.  (2023)  Surface Hydrophobicity Engineering of Pt-Based Noble Metal Aerogels by Ionic Liquids toward Enhanced Electrocatalytic Oxygen Reduction.  ACS Applied Materials & Interfaces,      [PMID:37092815] [10.1021/acsami.3c02101]

2. Jun Xu, Chao Peng, Bolin Yao, Hua-Jian Xu, Qiang Xie.  (2022)  Direct Deoxyfluorination of Alcohols with KF as the Fluorine Source.  JOURNAL OF ORGANIC CHEMISTRY,      [PMID:35442691] [10.1021/acs.joc.2c00388]

3. Qianqian Xing, Xiaoliang Jia, Shiyu Jia, Yongqin Qi, Yuqi Wang, Yingxiong Wang, Xianglin Hou.  (2024)  Precise synthesis of cyclopropyl methyl ketone via proton transfer of 5-chloro-2-pentanone driven by hydrogen bonds.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2024.140564]

4. Ming Jiang, Xintong Zhang, Mi Feng, Shijie Wang, Zhencai Zhang, Xiangping Zhang, Xingmei Lu, Fei Xu.  (2024)  Tunable protic ionic liquid catalysts for the efficient one-step synthesis of isosorbide-based polycarbonates.  Carbon Capture Science & Technology,      [PMID:] [10.1016/j.ccst.2024.100281]

5. Sun Yue, Cao Yuxiang, Liu Xiong, Zhang Chengjian, Zhang Xinghong.  (2026)  Synthesis of poly(ester disulfide)s from S8-involved step-growth addition polymerization at ambient temperature.  Nature Communications,      [PMID:41593067] [10.1038/s41467-026-68963-7]