1-NAPHTHALENEMETHYL ISOTHIOCYANATE

Base Information

• Chemical Name: 1-NAPHTHALENEMETHYL ISOTHIOCYANATE
• CAS No.: 17112-82-2
• Molecular Formula: C12H9 N S
• Molecular Weight: 199.276
• Hs Code.: 2930909090
• Mol file: 17112-82-2.mol

Synonyms:Isothiocyanicacid, 1-naphthylmethyl ester (6CI,8CI); 1-Naphthylmethyl isothiocyanate; NSC137463; a-Naphthylmethylisothiocyanate

Chemical Property of 1-NAPHTHALENEMETHYL ISOTHIOCYANATE

Chemical Property:

• Vapor Pressure: 6.11E-05mmHg at 25°C
• Melting Point: 47-49°C
• Boiling Point: 165°C 2mm
• Flash Point: 179°C
• PSA: 44.45000
• Density: 1.09g/cm³
• LogP: 3.44260
• Storage Temp.: Keep Cold

Purity/Quality:

99.5% ^*data from raw suppliers

1-Naphthalenemethylisothiocyanate 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-NAPHTHALENEMETHYL ISOTHIOCYANATE

There total 3 articles about 1-NAPHTHALENEMETHYL ISOTHIOCYANATE 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: 88.0%

thiophosgene (463-71-8) + (naphth-1-yl)methylamine (118-31-0) → 1-(isothiocyanatomethyl)naphthalene (17112-82-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 4h;

DOI:10.2174/1573406412666160915163002

Reference yield: 72.0%

→ 1-(isothiocyanatomethyl)naphthalene (17112-82-2)

Guidance literature:

Reference yield:

(1-thiocyanatomethyl)naphthalene (18542-48-8) → 1-(isothiocyanatomethyl)naphthalene (17112-82-2)

Guidance literature:

at 170 ℃;

upstream raw materials:

(1-thiocyanatomethyl)naphthalene

thiophosgene

(naphth-1-yl)methylamine

Downstream raw materials:

(S)-1-(1-(diphenylphosphino)-3-methylbutan-2-yl)-3-(naphthalen-1-ylmethyl)thiourea

Refernces

• 1、 Zhang, Xiansheng,Wu, Jingwei,Liu, Wei,Liu, Yuqiang,Xie, Yafei,Shang, Qian,Zhou, Zhixing,Xu, Weiren,Tang, Lida,Wang, Jianwu,Zhao, Guilong. "Discovery of flexible naphthyltriazolylmethane-based thioacetic acids as highly active uric acid transporter 1 (URAT1) inhibitors for the treatment of hyperuricemia of gout". . p. 260 - 281. Retrieved 2017/05/31.
• 2、 -. "ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIOS CONTAINING SAME". Page/Page column 31. . Retrieved 2008/06/13.