Cloransulam-methyl

Base Information

• Chemical Name: Cloransulam-methyl
• CAS No.: 147150-35-4
• Molecular Formula: C15H13ClFN5O5S
• Molecular Weight: 429.816
• Hs Code.: 2935009011
• European Community (EC) Number: 604-573-3
• UNII: N9P737Z6HO
• DSSTox Substance ID: DTXSID8034372
• Nikkaji Number: J719.378E
• Wikidata: Q27106188
• Metabolomics Workbench ID: 45912
• Mol file: 147150-35-4.mol

Synonyms:cloransulam-methyl

Chemical Property of Cloransulam-methyl

Chemical Property:

• Melting Point: 216-218oC
• Refractive Index: 1.677
• PKA: 3.97±0.50(Predicted)
• PSA: 133.16000
• Density: 1.65 g/cm³
• LogP: 3.05670
• Storage Temp.: 0-6°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 429.0309956
• Heavy Atom Count: 28
• Complexity: 668

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cloransulam-methyl PESTANAL ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 20-50
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Other
• Canonical SMILES: CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)C(=O)OC)F

Technology Process of Cloransulam-methyl

There total 1 articles about Cloransulam-methyl 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:

2-chlorosulfonyl-7-fluoro-5-ethoxy[1,2,4]triazolo[1,5-c]-pyrimidine (147150-77-4) + methyl 3-chloroanthranilate (77820-58-7) → N-(2-methoxycarbonyl-6-chlorophenyl)-7-fluoro-5-ethoxy-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide (147150-35-4)

Guidance literature:

With pyridine; S,S-dimethyl-N-(2-methoxycarbonyl-6-chlorophenyl)sulfilimine; In dichloromethane;

Reference yield: 90.0%

2-(trimethylsilyl)ethyl N-(tert-butoxycarbonyl)-L-cysteinate (172694-17-6) + N-(2-methoxycarbonyl-6-chlorophenyl)-7-fluoro-5-ethoxy-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide (147150-35-4) → 2-{7-[(R)-2-tert-Butoxycarbonylamino-2-(2-trimethylsilanyl-ethoxycarbonyl)-ethylsulfanyl]-5-ethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonylamino}-3-chloro-benzoic acid methyl ester (172694-18-7)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; for 4h; Ambient temperature;

DOI:10.1021/jo00129a065

Reference yield: 48.0%

TMSEO-β-ala-N-t-Boc-(R)-cys-SH (172694-28-9) + N-(2-methoxycarbonyl-6-chlorophenyl)-7-fluoro-5-ethoxy-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide (147150-35-4) → 2-(7-{(R)-2-tert-Butoxycarbonylamino-2-[2-(2-trimethylsilanyl-ethoxycarbonyl)-ethylcarbamoyl]-ethylsulfanyl}-5-ethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonylamino)-3-chloro-benzoic acid methyl ester (172694-29-0)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; for 4.5h; Ambient temperature;

DOI:10.1021/jo00129a065

upstream raw materials:

2-chlorosulfonyl-7-fluoro-5-ethoxy[1,2,4]triazolo[1,5-c]-pyrimidine

methyl 3-chloroanthranilate

Downstream raw materials:

2-{7-[(R)-2-tert-Butoxycarbonylamino-2-(2-trimethylsilanyl-ethoxycarbonyl)-ethylsulfanyl]-5-ethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonylamino}-3-chloro-benzoic acid methyl ester

2-(7-{(R)-2-tert-Butoxycarbonylamino-2-[2-(2-trimethylsilanyl-ethoxycarbonyl)-ethylcarbamoyl]-ethylsulfanyl}-5-ethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonylamino)-3-chloro-benzoic acid methyl ester

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