Prosulfocarb

Base Information

• Chemical Name: Prosulfocarb
• CAS No.: 52888-80-9
• Molecular Formula: C14H21 N O S
• Molecular Weight: 251.393
• Hs Code.: 2930200014
• European Community (EC) Number: 401-730-6,634-871-9
• UN Number: 3082,3077
• UNII: 8VCE6FU50D
• DSSTox Substance ID: DTXSID3058119
• Nikkaji Number: J1.581.749F
• Wikidata: Q22808799
• ChEMBL ID: CHEMBL2251843
• Mol file: 52888-80-9.mol

Synonyms:prosulfocarb;prosulfurocarb herbicide;S-(phenylmethyl) dipropylcarbamothioate

Chemical Property of Prosulfocarb

Chemical Property:

• Vapor Pressure: 3.79E-05mmHg at 25°C
• Melting Point: <10℃
• Refractive Index: 1.7500 (estimate)
• Boiling Point: 352.6°Cat760mmHg
• PKA: -1.22±0.70(Predicted)
• Flash Point: 167.1°C
• PSA: 45.61000
• Density: 1.049g/cm³
• LogP: 4.16180
• Water Solubility.: 13 mg l-1
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 251.13438547
• Heavy Atom Count: 17
• Complexity: 208
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

Prosulfocarb ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-43-51/53
• Safety Statements: 24-37-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Other
• Canonical SMILES: CCCN(CCC)C(=O)SCC1=CC=CC=C1
• Uses: Prosulfocarb is a pesticide used in the protection of crops such as barley for its herbicidal activity.

Technology Process of Prosulfocarb

There total 9 articles about Prosulfocarb 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: 96.0%

carbon dioxide (124-38-9,18923-20-1) + di-n-propylamine (142-84-7) + phenylmethanethiol (100-53-8) → prosulfocarb (52888-80-9)

Guidance literature:

carbon dioxide; di-n-propylamine; In dimethyl sulfoxide; at 20 ℃; for 0.5h;

phenylmethanethiol; With triphenylphosphine; diethylazodicarboxylate; In dimethyl sulfoxide; at 20 ℃; for 3h; Further stages.;

DOI:10.1055/s-2008-1032025

Reference yield: 95.0%

carbon monoxide (201230-82-2) + benzyl chloride (100-44-7) + di-n-propylamine (142-84-7) → prosulfocarb (52888-80-9)

Guidance literature:

carbon monoxide; di-n-propylamine; With sulfur; In dimethyl sulfoxide; at 20 ℃; for 5h; under 760 Torr;

benzyl chloride; In dimethyl sulfoxide; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2005.06.114

Reference yield:

benzyl chlorothioformate (37734-45-5) + di-n-propylamine (142-84-7) → prosulfocarb (52888-80-9)

Guidance literature:

With hydrogenchloride; sodium hydroxide; nitrogen; In water; toluene;

upstream raw materials:

benzyl bromide

di-n-propylamine

benzyl chloride

Dipropyl-thiocarbamic acid; compound with dipropyl-amine

Refernces

• 1、 Malviya, Bhanwar Kumar,Sharma, Siddharth,Verma, Ved Prakash. "Electrochemical metal- And oxidant-free synthesis of S-thiocarbamates". . p. 9491 - 9500. Retrieved 2021/11/17.
• 2、 Mizuno, Takumi,Iwai, Toshiyuki,Ishino, Yoshio. "Solvent-assisted thiocarboxylation of amines and alcohols with carbon monoxide and sulfur under mild conditions". . p. 9157 - 9163. Retrieved 2007/10/03.