2-CHLORO-4-METHYLBENZONITRILE

Base Information

• Chemical Name: 2-CHLORO-4-METHYLBENZONITRILE
• CAS No.: 7390-42-3
• Molecular Formula: C7H13NS
• Molecular Weight: 143.253
• Mol file: 7390-42-3.mol

Synonyms:Zyklohexansulfamid;cyclo-hexane-carboxylic acid thioamide;cyclohexanecarbothioamide;Cyclohexansulfonamid;cyclohexylsulfonyl fluoride;cyclohexanethiocarboxamide;cyclohexylamidosulfonic acid;Cyclohexansulfonylfluorid;Cyclohexylsulfonylfluorid;cyclohexane thioamide;WLN: L6TJ ASZW;cyclohexanecarbothioic acid amide;cyclohexylsulfonamide;cyclohexylthioamide;

Chemical Property of 2-CHLORO-4-METHYLBENZONITRILE

Chemical Property:

• Melting Point: 116 °C
• Boiling Point: 238.5±23.0 °C(Predicted)
• PKA: 13.12±0.20(Predicted)
• PSA: 23.79000
• Density: 1.079±0.06 g/cm3(Predicted)
• LogP: 2.52008

Purity/Quality:

95% ^*data from raw suppliers

cyclohexanecarbothioamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-CHLORO-4-METHYLBENZONITRILE

There total 3 articles about 2-CHLORO-4-METHYLBENZONITRILE 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%

cyclohexylcarboxamide (1122-56-1) → cyclohexanecarbothioamide (7390-42-3)

Guidance literature:

With Lawessons reagent; In toluene; at 20 ℃; for 0.15h;

Reference yield: 94.0%

cyclohexane carbonitrile (766-05-2) → cyclohexanecarbothioamide (7390-42-3)

Guidance literature:

With diammonium sulfide; 1,6-bis(3-methylimidazolium-1-yl)hexane dichloride; at 70 ℃; for 0.25h;

DOI:10.1007/BF03246065

Reference yield:

→ cyclohexanecarbothioamide (7390-42-3)

Guidance literature:

upstream raw materials:

cyclohexane carbonitrile

cyclohexylcarboxamide

Downstream raw materials:

4-(4-chloro-phenyl)-6-cyclohexyl-2,2-diphenyl-4H-[1,3,5]dithiazine

chloromethyl-2-cyclohexyl-thiazole

2-cyclohexylthiazole

C₁₂H₁₇NO₂S

Refernces

• 1、 Karale, Uttam B.,Krishna, Vagolu Siva,Krishna, E. Vamshi,Choudhari, Amit S.,Shukla, Manjulika,Gaikwad, Vikas R.,Mahizhaveni,Chopra, Sidharth,Misra, Sunil,Sarkar, Dhiman,Sriram, Dharmarajan,Dusthackeer, V.N. Azger,Rode, Haridas B.. "Synthesis and biological evaluation of 2,4,5-trisubstituted thiazoles as antituberculosis agents effective against drug-resistant tuberculosis". . p. 315 - 328. Retrieved 2019/06/14.
• 2、 -. "HETEROCYCLE-SUBSTITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES". Page/Page column 144. . Retrieved 2014/08/06.