methyl 4-chloro-2-isothiocyanatobenzoate

Base Information

• Chemical Name: methyl 4-chloro-2-isothiocyanatobenzoate
• CAS No.: 342623-34-1
• Molecular Formula: C₉H₆ClNO₂S
• Molecular Weight: 227.671
• Mol file: 342623-34-1.mol

Synonyms:methyl 4-chloro-2-isothiocyanatobenzoate

Chemical Property of methyl 4-chloro-2-isothiocyanatobenzoate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl 4-chloro-2-isothiocyanatobenzoate

There total 2 articles about methyl 4-chloro-2-isothiocyanatobenzoate 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: 91.0%

2-amino-4-chloro-benzoic acid methyl ester (5900-58-3) + thiophosgene (463-71-8) → methyl 4-chloro-2-isothiocyanatobenzoate (342623-34-1)

Guidance literature:

thiophosgene; With sodium hydrogencarbonate; In chloroform; water; at 20 ℃; for 0.666667h;

2-amino-4-chloro-benzoic acid methyl ester; In chloroform; water; at 20 ℃; for 8h;

DOI:10.3987/COM-15-S(T)12

Reference yield:

→ methyl 4-chloro-2-isothiocyanatobenzoate (342623-34-1)

Guidance literature:

Reference yield: 93.0%

methyl 4-chloro-2-isothiocyanatobenzoate (342623-34-1) → 7-chloro-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (33017-86-6)

Guidance literature:

With pyridine; ammonia; In toluene; at -34 - 20 ℃; for 1h; under 1500.15 Torr; Inert atmosphere; Sealed tube;

DOI:10.3987/COM-15-S(T)12

upstream raw materials:

2-amino-4-chloro-benzoic acid methyl ester

thiophosgene

Downstream raw materials:

2-(2-carbamoyl-2-cyano-thioacetylamino)-4-chloro-benzoic acid methyl ester

7-chloro-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

7-chloro-2-(4-methoxyphenyl)quinazolin-4(3H)-one

Refernces

• 1、 Liang, Xuewu,Sun, Chenxia,Li, Chunpu,Yu, Haolan,Wei, Xiaohui,Liu, Xuyi,Bao, Wei,Shi, Yuqiang,Sun, Xiaochen,Khamrakulov, Mirzadavlat,Yang, Chenghua,Liu, Hong. "Identification of Novel Fused Heteroaromatics-Based MALT1 Inhibitors by High-Throughput Screening to Treat B Cell Lymphoma". . p. 9217 - 9237. Retrieved 2021/07/20.
• 2、 Yan, Shunqi,Appleby, Todd,Gunic, Esmir,Shim, Jae Hoon,Tasu, Tania,Kim, Hongwoo,Rong, Frank,Chen, Huaming,Hamatake, Robert,Wu, Jim Z.,Hong, Zhi,Yao, Nanhua. "Isothiazoles as active-site inhibitors of HCV NS5B polymerase". . p. 28 - 33. Retrieved 2007/10/03.