Dimethylthiocarbamoyl chloride

Base Information

• Chemical Name: Dimethylthiocarbamoyl chloride
• CAS No.: 16420-13-6
• Deprecated CAS: 42326-60-3
• Molecular Formula: C3H6ClNS
• Molecular Weight: 123.606
• Hs Code.: 29302000
• European Community (EC) Number: 240-468-5
• UNII: XDX36AS4VH
• DSSTox Substance ID: DTXSID4066048
• Nikkaji Number: J23.404D
• Wikidata: Q72472222
• Mol file: 16420-13-6.mol

Synonyms:dimethylthiocarbamoyl chloride;DMTC-Cl

Chemical Property of Dimethylthiocarbamoyl chloride

Chemical Property:

• Appearance/Colour: slightly yellow to yellow low melting crystalline
• Vapor Pressure: 0.00249mmHg at 25°C
• Melting Point: 39-43 °C(lit.)
• Refractive Index: 1.538
• Boiling Point: 287.415 °C at 760 mmHg
• PKA: 0.30±0.50(Predicted)
• Flash Point: 127.624 °C
• PSA: 35.33000
• Density: 1.216 g/cm³
• LogP: 1.07170
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Solubility.: Soluble in chloroform and tetrahydrofuran.
• Water Solubility.: reacts
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 122.9909481
• Heavy Atom Count: 6
• Complexity: 61.8

Purity/Quality:

98%, ^*data from raw suppliers

Dimethylthiocarbamoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34-29-14
• Safety Statements: 26-36/37/39-45-8-30-22-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: CN(C)C(=S)Cl
• Uses: Dimethylthiocarbamoyl chloride is used as an intermediate in the synthesis of pharmaceuticals. It finds application in chemoselective deoxygenation of pyridine-N-oxides. It is also used as a starting reagent in the synthesis of dimethylthiocarbamates. Dimethylthiocarbamoyl chloride was used in chemoselective deoxygenation of pyridine-N-oxides. It was used in the synthesis of (±)-thia-calanolide A. It was used as starting reagent in the synthesis of dimethylthiocarbamates.

Technology Process of Dimethylthiocarbamoyl chloride

There total 9 articles about Dimethylthiocarbamoyl chloride 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: 97.0%

Thiram (137-26-8,93196-73-7) → N,N-Dimethylthiocarbamoyl chloride (16420-13-6)

Guidance literature:

With sulfuryl dichloride; In dichloromethane; for 0.25h; Ambient temperature;

Reference yield: 94.0%

→ N,N-Dimethylthiocarbamoyl chloride (16420-13-6)

Guidance literature:

Reference yield: 62.0%

3,5-dibromo-4-hydroxyphenylacetic acid ethyl ester (24744-59-0) → ethyl 3,5-dibromo-4-(N,N-dimethylthiocarbamoyloxy)phenylacetate + N,N-Dimethylthiocarbamoyl chloride (16420-13-6)

Guidance literature:

upstream raw materials:

μ-tetrasulfido-1,2-dithio-dicarbonic acid bis-dimethylamide

Thiram

bis(dimethylthiocarbamoyl)sulfide

thiophosgene

Downstream raw materials:

4-methyl-piperazine-1-carbothioic acid dimethylamide

1,1,3,3-tetramethyl-2-thiourea

4-methoxy-N,N-dimethylbenzenecarbothioamide

3-phenylpropynethionic acid dimethylamide

Refernces

• 1、 Nakai,T. et al.. "-". . p. 2425 - 2428. Retrieved 1977.
• 2、 Lieber,Trivedi. "-". . p. 650. Retrieved 1960.
• 3、 Fu, Hua,Li, Hongyun,Li, Youshan,Lou, Zhenbang,Yang, Haijun,Zhao, Yufen. "Bioorthogonal Ligation and Cleavage by Reactions of Chloroquinoxalines with ortho-Dithiophenols". supporting information. p. 3671 - 3677. Retrieved 2020/02/04.
• 4、 -. "4-(3-cyclohexyl-4-hydroxy or-methoxy phenylsulfonyl) 3,5 dibromo phenyl acetic thyromimetic cholesterol-lowering agents". . . Retrieved 2008/06/13.