N-(4-chlorobenzyl)hydrazinecarbothioamide

Base Information

• Chemical Name: N-(4-chlorobenzyl)hydrazinecarbothioamide
• CAS No.: 6610-36-2
• Molecular Formula: C26H20N4O3S
• Molecular Weight: 215.706
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50392144
• Mol file: 6610-36-2.mol

Synonyms:6610-36-2;N-(4-chlorobenzyl)hydrazinecarbothioamide;4-(4-Chlorobenzyl)-3-thiosemicarbazide;1-amino-3-[(4-chlorophenyl)methyl]thiourea;4-(4-Chlorobenzyl)-thiosemicarbazide;4-(4-CHLOROBENZYL)THIOSEMICARBAZIDE;SCHEMBL17794373;DTXSID50392144;MFCD00060590;AKOS009264500;Ethyl 2-((3-nitrobutan-2-yl)thio)acetate;FT-0682154;N-[(4-Chlorophenyl)methyl]hydrazinecarbothioamide

Chemical Property of N-(4-chlorobenzyl)hydrazinecarbothioamide

Chemical Property:

• Melting Point: 174-175oC
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 82.17000
• Density: 1.371g/cm³
• LogP: 2.65990
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.0283962
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

98%Min ^*data from raw suppliers

4-(4-Chlorobenzyl)-3-thiosemicarbazide ^*data from reagent suppliers

Safty Information:

• Statements: 23/24/25
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CNC(=S)NN)Cl

Technology Process of N-(4-chlorobenzyl)hydrazinecarbothioamide

There total 5 articles about N-(4-chlorobenzyl)hydrazinecarbothioamide 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: 62.0%

carbon disulfide (75-15-0,12122-00-8) + 4-chlorobenzylamine (104-86-9) → N-(4-chlorobenzyl)hydrazinecarbothioamide (6610-36-2)

Guidance literature:

carbon disulfide; 4-chlorobenzylamine; With triethylamine; In methanol; at 20 ℃;

With methyl iodide; In methanol; at -10 - 20 ℃; for 2h;

With hydrazine hydrate; In methanol; for 4h; Reflux;

DOI:10.1080/07391102.2021.1942212

Reference yield:

4-chlorobenzylamine (104-86-9) → N-(4-chlorobenzyl)hydrazinecarbothioamide (6610-36-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / methanol / 2.25 h / 20 - 30 °C

1.2: 2.33 h / -10 - 20 °C

2.1: hydrazine hydrate / ethanol / 2 h / Reflux

With hydrazine hydrate; triethylamine; In methanol; ethanol;

DOI:10.1016/j.bmc.2016.12.012

Reference yield:

(4-Chloro-benzyl)-dithiocarbamic acid methyl ester → N-(4-chlorobenzyl)hydrazinecarbothioamide (6610-36-2)

Guidance literature:

With hydrazine hydrate; In ethanol; for 2h; Reflux;

DOI:10.1016/j.bmc.2016.12.012

upstream raw materials:

4-chlorobenzylamine

carbon disulfide

4-chlorobenzylisothiocyanate

Downstream raw materials:

(4-chloro-benzyl)-[1,2,3,4]thiatriazol-5-yl-amine

C₂₀H₁₇ClN₄O₂S