Naphthalene-1-carbothioamide

Base Information

• Chemical Name: Naphthalene-1-carbothioamide
• CAS No.: 20300-10-1
• Molecular Formula: C11H9NS
• Molecular Weight: 187.265
• Hs Code.: 2930909090
• European Community (EC) Number: 678-819-3
• NSC Number: 240970
• DSSTox Substance ID: DTXSID40398372
• Nikkaji Number: J708.044A
• Mol file: 20300-10-1.mol

Synonyms:naphthalene-1-carbothioamide;20300-10-1;1-Naphthalenecarbothioamide;Naphthalene-1-thiocarboxamide;MFCD08164114;NSC240970;SCHEMBL3058525;DTXSID40398372;Naphthalene-1-thiocarboxamide, 97%;STL302058;AKOS000129348;NSC 240970;NSC-240970;BS-21878;CS-0205330;EN300-127253

Chemical Property of Naphthalene-1-carbothioamide

Chemical Property:

• Vapor Pressure: 2.25E-05mmHg at 25°C
• Melting Point: 126-130°C
• Boiling Point: 360.3°Cat760mmHg
• Flash Point: 171.7°C
• PSA: 58.11000
• Density: 1.247g/cm³
• LogP: 3.17430
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.04557046
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

Naphthalene-1-carbothioamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-50
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C(=S)N
• Uses: Naphthalene-1-thiocarboxamide is an organosulphur compound, which may be used in dehydrosulfurization of aromatic thioamides to nitriles.

Technology Process of Naphthalene-1-carbothioamide

There total 7 articles about Naphthalene-1-carbothioamide 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: 78.0%

1-Cyanonaphthalene (86-53-3) → 1-naphthalenecarbothioamide (20300-10-1)

Guidance literature:

With 2,3,4,5,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium acetate; sodiumsulfide nonahydrate; In neat (no solvent); at 20 ℃; for 2h; Green chemistry;

DOI:10.1039/c7ra11259a

Reference yield:

1-Cyanonaphthalene (86-53-3) → (naphth-1-yl)methylamine (118-31-0) + 1-naphthalenecarbothioamide (20300-10-1)

Guidance literature:

With NaBH₂S₃; In tetrahydrofuran;

DOI:10.1139/v71-498

Reference yield:

1-naphthylcarboxamide (2243-81-4) → 1-naphthalenecarbothioamide (20300-10-1)

Guidance literature:

With Lawessons reagent; In tetrahydrofuran; for 4h; Reflux;

DOI:10.1016/j.ejmech.2016.02.040

upstream raw materials:

1-Cyanonaphthalene

1-amino-naphthalene

1-naphthylcarboxamide

Downstream raw materials:

2-[1]naphthyl-4-phenyl-thiazole

(naphth-1-yl)methylamine

(2-naphthalen-1-yl-4-phenyl-thiazol-5-yl)-acetic acid

1-Cyanonaphthalene

Refernces

• 1、 Cao, Xian-Ting,Qiao, Li,Zheng, Hui,Yang, Hui-Yong,Zhang, Peng-Fei. "A efficient protocol for the synthesis of thioamides in [DBUH][OAc] at room temperature". . p. 170 - 175. Retrieved 2018/01/17.
• 2、 Li, Zheng,Qiu, Qianqian,Xu, Xue,Wang, Xuekun,Jiao, Lei,Su, Xin,Pan, Miaobo,Huang, Wenlong,Qian, Hai. "Design, synthesis and Structure-activity relationship studies of new thiazole-based free fatty acid receptor 1 agonists for the treatment of type 2 diabetes". supporting information. p. 246 - 257. Retrieved 2016/03/08.