Thiocamphor

Base Information

• Chemical Name: Thiocamphor
• CAS No.: 7519-74-6
• Molecular Formula: C10H16 S
• Molecular Weight: 168.303
• European Community (EC) Number: 677-582-3
• Nikkaji Number: J888.568K
• Wikidata: Q27093814
• Metabolomics Workbench ID: 147404
• Mol file: 7519-74-6.mol

Synonyms:thiocamphor

Chemical Property of Thiocamphor

Chemical Property:

• Vapor Pressure: 0.107mmHg at 25°C
• Boiling Point: 229°C at 760 mmHg
• Flash Point: 81.7°C
• PSA: 32.09000
• Density: 1.03g/cm³
• LogP: 3.20250
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.09727168
• Heavy Atom Count: 11
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC1(C(=S)C2)C)C
• Isomeric SMILES: C[C@@]12CC[C@@H](C1(C)C)CC2=S

Technology Process of Thiocamphor

There total 14 articles about Thiocamphor 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: 95.0%

1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one (736109-58-3,787517-91-3,68546-28-1) → thiocamphor (7519-74-6,52078-93-0,53402-10-1,54713-16-5)

Guidance literature:

With bis(tricyclohexyltin)sulfide; boron trichloride; In toluene; for 2.5h; Heating;

DOI:10.1021/ja00375a027

Reference yield: 95.0%

camphor pyrrolidinoenamine (72995-90-5) → thiocamphor (7519-74-6,52078-93-0,53402-10-1,54713-16-5)

Guidance literature:

With hydrogen sulfide; In benzene; at 0 - 5 ℃; for 2h;

Reference yield: 85.0%

(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (464-49-3,68546-28-1) → (1R)-thiocamphor (7519-74-6,52078-93-0,53402-10-1,54713-16-5)

Guidance literature:

In toluene; for 5h; Heating; Lawesson reagent;

DOI:10.1039/DT9900002843

upstream raw materials:

N-nitrocaphorimine

bornane-2-thiol

Camphor

1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one

Downstream raw materials:

(+/-)-1.7.7-trimethyl-3-(benzylidene-(seqtrans))-norbornanethione-⁽²⁾

(+/-)-1.7.7-trimethyl-3-(4-dimethylamino-benzylidene-(seqtrans))-norbornanethione-⁽²⁾

camphor oxime

1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one

Refernces

• 1、 Jayaraj, Nithyanandhan,Jockusch, Steffen,Kaanumalle, Lakshmi S.,Turro,Ramamurthy. "Dynamics of capsuleplex formed between octaacid and organic guest molecules - Photophysical techniques reveal the opening and closing of capsuleplex". supporting information; experimental part. p. 203 - 213. Retrieved 2011/04/23.
• 2、 Wai, Kwok-Fai,Sammes, Michael P.. "Dithiazoles and Related Compounds. Part 3. Preparation of 5H-1,4,2-Dithiazoles via 1,3-Dipolar Cycloadditions between Nitrile Sulphides and Thiocarbonyl Compounds, and some Conversions into 3,5-Diaryl-1,4,2-dithiazolium Salts". . p. 183 - 187. Retrieved 2007/10/02.