Allyl p-tolyl sulfone

Base Information

• Chemical Name: Allyl p-tolyl sulfone
• CAS No.: 3112-87-6
• Molecular Formula: C10H12 O2 S
• Molecular Weight: 196.27
• Hs Code.: 2904100000
• European Community (EC) Number: 683-715-6
• NSC Number: 65083
• UNII: W5CKZ4NJX3
• DSSTox Substance ID: DTXSID50185058
• Nikkaji Number: J49.541G
• Mol file: 3112-87-6.mol

Synonyms:Allyl p-tolyl sulfone;p-Tolyl allyl sulfone;3112-87-6;Sulfone, allyl p-tolyl;1-(allylsulfonyl)-4-methylbenzene;1-methyl-4-prop-2-enylsulfonylbenzene;Benzene, 1-methyl-4-(2-propenylsulfonyl)-;AI3-07242;NSC 65083;W5CKZ4NJX3;BRN 1909845;(4-Methylphenyl)allyl sulfone;1-methyl-4-(prop-2-ene-1-sulfonyl)benzene;NSC-65083;4-06-00-02162 (Beilstein Handbook Reference);3-Tosyl-1-propene;Allyl 4-tolyl sulfone;UNII-W5CKZ4NJX3;WLN: 2U1SWR D1;allyl (4-methylphenyl) sulfone;SCHEMBL3626870;DTXSID50185058;NSC65083;STK887581;AKOS000352515;LS-147956;1-Methyl-4-(2-propen-1-ylsulfonyl)benzene;CS-0117037;1-methyl-4-(prop-2-en-1-ylsulfonyl)benzene;Benzene, 1-methyl-4-(2-propen-1-ylsulfonyl)-;SR-01000402050;SR-01000402050-1

Chemical Property of Allyl p-tolyl sulfone

Chemical Property:

• Vapor Pressure: 0.00023mmHg at 25°C
• Boiling Point: 335.6°Cat760mmHg
• Flash Point: 186.6°C
• PSA: 42.52000
• Density: 1.117g/cm³
• LogP: 3.03550
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 196.05580079
• Heavy Atom Count: 13
• Complexity: 253

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC=C

Technology Process of Allyl p-tolyl sulfone

There total 56 articles about Allyl p-tolyl sulfone 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: 98.0%

P-toluenesulfonyl cyanide (19158-51-1) + 1-((allylsulfonyl)methyl)-4-bromobenzene (501325-59-3) → 4-Bromophenylacetonitrile (16532-79-9) + 1-methyl-4-(prop-2-ene-1-sulfonyl)benzene (3112-87-6)

Guidance literature:

With 1,1'-azobis(1-cyanocyclohexanenitrile); In chlorobenzene; at 110 ℃;

DOI:10.1002/1521-3773(20020902)41:17<3265::AID-ANIE3265>3.0.CO;2-X

Reference yield: 98.0%

P-toluenesulfonyl cyanide (19158-51-1) + [3-(prop-2-ene-1-sulfonyl)-butyl]-benzene → 1-methyl-4-(prop-2-ene-1-sulfonyl)benzene (3112-87-6) + 2-methyl-4-phenylbutanenitrile (73475-33-9)

Guidance literature:

With 1,1'-azobis(1-cyanocyclohexanenitrile); In chlorobenzene; at 110 ℃;

DOI:10.1002/1521-3773(20020902)41:17<3265::AID-ANIE3265>3.0.CO;2-X

Reference yield: 98.0%

P-toluenesulfonyl cyanide (19158-51-1) + 4-(prop-2-ene-1-sulfonyl)-1-(toluene-4-sulfonyl)-piperidine → 1-methyl-4-(prop-2-ene-1-sulfonyl)benzene (3112-87-6) + 1-(4-toluenesulfonyl)-piperidine-4-carbonitrile (93431-41-5)

Guidance literature:

With 1,1'-azobis(1-cyanocyclohexanenitrile); In chlorobenzene; at 110 ℃;

DOI:10.1002/1521-3773(20020902)41:17<3265::AID-ANIE3265>3.0.CO;2-X

upstream raw materials:

allyl (p-tolyl)sulfide

(3-iodo-propenyl)-p-tolyl sulfone

sodium 4-methylbenzenesulfinate

3-chloroprop-1-ene

Downstream raw materials:

(E)-p-tolyl-1-propenyl sulfone

1-(4-methylphenylsulfonyl)propan-2-ol

(2,3-dichloro-propyl)-p-tolyl sulfone

(2-bromo-propyl)-p-tolyl sulfone

Refernces

• 1、 Chuang. "The free-radical cyclization reaction of 1,6-dienes with selenosulfonate". . p. 3151 - 3158. Retrieved 1992.
• 2、 Rathnayake, Manjula D.,Weaver, Jimmie D.. "A General Photocatalytic Route to Prenylation". supporting information. p. 1433 - 1438. Retrieved 2019/06/13.
• 3、 Tang, Xiang-zheng,zhou, Jing-xuan,Liang, Hua-ju,Zhang, Xue-jing,Yan, Ming,Chan, Albert S.C.. "A practical synthesis of functionalized isoindolinones via [3?+?3] benzannulation of 1,3-bissulfonylpropenes and 4-arylmethylene-2,3-dioxopyrrolidines". supporting information. p. 147 - 149. Retrieved 2018/12/11.