Methyl 2-methylbenzo[d]thiazole-5-carboxylate

Base Information

• Chemical Name: Methyl 2-methylbenzo[d]thiazole-5-carboxylate
• CAS No.: 32770-98-2
• Molecular Formula: C10H9 N O2 S
• Molecular Weight: 207.253
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID301266789
• Mol file: 32770-98-2.mol

Synonyms:32770-98-2;methyl 2-methylbenzo[d]thiazole-5-carboxylate;methyl 2-methyl-1,3-benzothiazole-5-carboxylate;Methyl 2-methylbenzothiazole-5-carboxylate;MFCD00748249;5-Benzothiazolecarboxylicacid,2-methyl-,methylester(8CI,9CI);SCHEMBL2970236;5-Benzothiazolecarboxylic acid, 2-methyl-, methyl ester;MSNFOUCVUZMALD-UHFFFAOYSA-N;DTXSID301266789;BCP30312;GEO-01871;GS-0691;AC-30498;SY291234;Methyl 2-methyl-5-benzothiazolecarboxylate;CS-0152753;methyl2-methylbenzo[d]thiazole-5-carboxylate;Y11403;5-benzothiazolecarboxylic acid,2-methyl-,methyl ester

Chemical Property of Methyl 2-methylbenzo[d]thiazole-5-carboxylate

Chemical Property:

• Melting Point: 96-98 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
• Boiling Point: 318.9±15.0 °C(Predicted)
• PKA: 0.70±0.10(Predicted)
• PSA: 67.43000
• Density: 1.291±0.06 g/cm3(Predicted)
• LogP: 2.39130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 207.03539970
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-methylbenzo[d]thiazole-5-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(S1)C=CC(=C2)C(=O)OC

Technology Process of Methyl 2-methylbenzo[d]thiazole-5-carboxylate

There total 9 articles about Methyl 2-methylbenzo[d]thiazole-5-carboxylate 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:

methanol (67-56-1) + 2-methylbenzo[d]thiazole-5-carboxylic acid (24851-69-2) → 2-methyl-5-benzothiazolecarxylic acid methyl ester (32770-98-2)

Guidance literature:

2-methylbenzo[d]thiazole-5-carboxylic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 0.5h;

methanol; In dichloromethane; at 20 ℃; for 0.5h;

Reference yield:

methyl 4-[[4-(methoxycarbonyl)-2-nitrophenyl]disulfanyl]-3-nitrobenzoate (35350-37-9) + acetic anhydride (108-24-7) → 2-methyl-5-benzothiazolecarxylic acid methyl ester (32770-98-2)

Guidance literature:

With zinc; In acetic acid;

DOI:10.1081/SCC-120004254

Reference yield:

4-chloro-3-nitrobenzoate (96-99-1) → 2-methyl-5-benzothiazolecarxylic acid methyl ester (32770-98-2)

Guidance literature:

Multi-step reaction with 3 steps

1: Na₂S₂

2: zinc / acetic acid

With sodium disulfide; zinc; In acetic acid;

DOI:10.1081/SCC-120004254

upstream raw materials:

methyl 3-nitro-4-chlorobenzoate

methyl 4-[[4-(methoxycarbonyl)-2-nitrophenyl]disulfanyl]-3-nitrobenzoate

acetic anhydride

4-chloro-3-nitrobenzoate

Downstream raw materials:

(2-methyl-1,3-benzothiazol-5-yl)methanol

5-chloromethyl-2-methyl-benzothiazole

diethyl-(2-methyl-benzothiazol-5-ylmethyl)-amine

5-methoxymethyl-2-methyl-benzothiazole

Refernces

• 1、 Nagasawa,Tachikawa,Yamaguchi,Tada,Miura,Itoh. "Catalytic Aerobic Photo-oxidation of a Methyl Group on a Heterocycle to Produce an Aldehyde via Homolytic C-I Bond Cleavage caused by Irradiation with Visible Light". . p. 178 - 182. Retrieved 2016/02/14.
• 2、 -. "INFRARED DYE FOR SILVER HALIDE-BASED PHOTOGRAPHIC ELEMENTS". . . Retrieved 2009/09/28.