- Industrial preparation of phenyl chlorothioformates, Japan, , ,
Cas no 97986-06-6 (3-tert-butylphenyl chlorothionoformate)
97986-06-6 structure
Product Name:3-tert-butylphenyl chlorothionoformate
CAS No:97986-06-6
MF:C11H13ClOS
MW:228.738321065903
CID:61926
PubChem ID:688169
Update Time:2024-03-01
3-tert-butylphenyl chlorothionoformate Chemical and Physical Properties
Names and Identifiers
-
- 3-tert-butylphenyl chlorothionoformate
- 3-(tert-Butyl)phenyl carbonochloridothioate
- O-(3-tert-Butylphenyl)chlorothioformate
- Chlorothioformic acid O-[3-(tert-butyl)phenyl] ester
- O-3-T-BUTYLPHENYLCHLOROTHIOFORMATE
- O-(3-tert-butylphenyl) chloromethanethioate
- O-[3-(1,1-DIMETHYLETHYL)PHENYL]CARBONOCHLORIDOTHIOATE
- m-tert-Butylphenylchlorothioformate
- 3-tert-Butylphenyl chloromethanethioate
- m-tert-Butylphenyl chlorothioformate
-
- Inchi： 1S/C11H13ClOS/c1-11(2,3)8-5-4-6-9(7-8)13-10(12)14/h4-7H,1-3H3
- InChI Key： RVFDGINAGFKENO-UHFFFAOYSA-N
- SMILES： S=C(OC1C=C(C(C)(C)C)C=CC=1)Cl
Computed Properties
- Exact Mass: 228.0375639g/mol
- Monoisotopic Mass: 228.0375639g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 41.3?2
Experimental Properties
- Density: 1.123?g/mL?at 25?°C(lit.)
- Boiling Point: 309.4°C at 760 mmHg
- Flash Point: >230?°F
- Refractive Index: n20/D 1.549(lit.)
- PSA: 41.32000
- LogP: 3.88660
3-tert-butylphenyl chlorothionoformate Security Information
- Hazardous Material transportation number：UN 2922 8/PG 2
- WGK Germany：3
- Hazard Category Code： 23/24/25-34
- Safety Instruction： 26-27-36/37/39-45
-
Hazardous Material Identification：
- HazardClass：8
- PackingGroup：III
3-tert-butylphenyl chlorothionoformate Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Hexane
Reference
Production Method 2
Reaction Conditions
Reference
- Removal of thiophosgene in preparation of phenyl chlorothioformates, Japan, , ,
Production Method 3
Reaction Conditions
Reference
- Preparation of phenyl chlorothioformates from carbon disulfide, Japan, , ,
Production Method 4
Reaction Conditions
Reference
- Phenyl chlorothioformates, Federal Republic of Germany, , ,
Production Method 5
Production Method 6
Reaction Conditions
1.1 Reagents: Azobisisobutyronitrile , Tributylstannane Solvents: Toluene
Reference
- Preparation of deoxynucleosides via homolytic deoxygenation reactions, World Intellectual Property Organization, , ,
Production Method 7
Production Method 8
Reaction Conditions
Reference
- Preparation of phenyl chlorothioformates as intermediates for drugs and agrochemicals, Japan, , ,
Production Method 9
Reaction Conditions
Reference
- Preparation and purification of phenyl chlorothioformates as intermediates for drugs and agrochemicals, Japan, , ,
3-tert-butylphenyl chlorothionoformate Raw materials
- Cytidine, N-acetyl-3′,5′-O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]-, 2′-[O-[3-(1,1-dimethylethyl)phenyl] carbonothioate]
- 3-Tert-Butylphenol
3-tert-butylphenyl chlorothionoformate Preparation Products
3-tert-butylphenyl chlorothionoformate Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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