Methyl 3-(3,4,5,6-tetrahydro-2H-azepin-7-YL)dithiocarbazate

Base Information

• Chemical Name: Methyl 3-(3,4,5,6-tetrahydro-2H-azepin-7-YL)dithiocarbazate
• CAS No.: 18596-83-3
• Molecular Formula: C8H15N3S2
• Molecular Weight: 217.3548
• European Community (EC) Number: 653-428-0
• NSC Number: 251766
• DSSTox Substance ID: DTXSID60390631
• Mol file: 18596-83-3.mol

Synonyms:18596-83-3;methyl N-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)carbamodithioate;methyl 2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazinecarbodithioate;METHYL 3-(3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YL)DITHIOCARBAZATE;NSC251766;ST50114401;DTXSID60390631;STL265010;AKOS002230656;NSC-251766;METHYL 2-(2-AZEPANYLIDENE)HYDRAZINECARBODITHIOATE;2-(4,6,7-TETRAHYDRO-3H-AZEPIN-2-YL)HYDRAZINECARBOTHIOIC ACID, METHYL ESTER

Chemical Property of Methyl 3-(3,4,5,6-tetrahydro-2H-azepin-7-YL)dithiocarbazate

Chemical Property:

• Vapor Pressure: 0.000206mmHg at 25°C
• Boiling Point: 327.2°Cat760mmHg
• Flash Point: 151.7°C
• Density: 1.28g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 217.07073984
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=S)NNC1=NCCCCC1

Technology Process of Methyl 3-(3,4,5,6-tetrahydro-2H-azepin-7-YL)dithiocarbazate

There total 3 articles about Methyl 3-(3,4,5,6-tetrahydro-2H-azepin-7-YL)dithiocarbazate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

O-methylcaprolactim (2525-16-8) + hydrazinecarbodithioic acid methyl ester (5397-03-5) → N'-Azepan-(2E)-ylidene-hydrazinecarbodithioic acid methyl ester (18596-83-3)

Guidance literature:

In methanol; for 1h; Ambient temperature;

Reference yield: 92.0%

hydrazinecarbodithioic acid methyl ester (5397-03-5) + 2,2-Dimethoxy-azepane → N'-Azepan-(2E)-ylidene-hydrazinecarbodithioic acid methyl ester (18596-83-3)

Guidance literature:

In methanol; for 1h; Ambient temperature;

Reference yield:

→ N2-<2-Aza-cyclohepten-(1)-yl>-dithiocarbazinsaeure-methylester (18596-83-3)

Guidance literature:

O-Methyl-ε-caprolactim, Dithiocarbazinsaeure-methylester, Ausb. 91percent;

upstream raw materials:

O-methylcaprolactim

hydrazinecarbodithioic acid methyl ester

Downstream raw materials:

C₁₅H₂₀N₄O₂S₂*BrH

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