3-Phenylpropane-1-sulfonyl chloride

Base Information

• Chemical Name: 3-Phenylpropane-1-sulfonyl chloride
• CAS No.: 63014-04-0
• Molecular Formula: C9H11ClO2S
• Molecular Weight: 218.704
• European Community (EC) Number: 624-965-8
• DSSTox Substance ID: DTXSID60503087
• Nikkaji Number: J1.952.149D
• Mol file: 63014-04-0.mol

Synonyms:3-phenylpropane-1-sulfonyl chloride;63014-04-0;3-Phenyl-propane-1-sulfonyl chloride;MFCD06738918;3-Phenylpropane-1-sulfonylchloride;3-phenylpropanesulfonyl chloride;SCHEMBL2356080;DTXSID60503087;DUWPDKKXSBXWLY-UHFFFAOYSA-N;AKOS000301893;AB28174;NS-02585;SY231314;FT-0619320;EN300-395281;A834151

Chemical Property of 3-Phenylpropane-1-sulfonyl chloride

Chemical Property:

• Melting Point: 20-22 °C
• Refractive Index: n20/D 1.5400(lit.)
• Boiling Point: 294.4 °C at 760 mmHg
• Flash Point: 131.8 °C
• PSA: 42.52000
• Density: 1.246 g/cm³
• LogP: 3.64740
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 218.0168285
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

3-phenylpropane-1-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCS(=O)(=O)Cl

Technology Process of 3-Phenylpropane-1-sulfonyl chloride

There total 14 articles about 3-Phenylpropane-1-sulfonyl chloride 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: 77.0%

→ 3-Phenyl-propane-1-sulfonyl chloride (63014-04-0)

Guidance literature:

With Trichloromethanesulfonyl chloride; In dichloromethane; at 18 ℃; for 3.75h; Irradiation;

Reference yield:

3-Phenylpropyl Ethenesulfonate (75391-23-0) → 3-Phenyl-propane-1-sulfonyl chloride (63014-04-0)

Guidance literature:

Multi-step reaction with 3 steps

1: CH₂Cl₂ / 0.17 h

2: CH₂Cl₂ / 15 h / Ambient temperature

3: 1.) (NH₂)2CS, 2.) Cl₂ / 1.) DME, 75 deg C, 0.5 h

With chlorine; thiourea; In dichloromethane;

DOI:10.1021/ja00389a038

Reference yield:

sodium 3-phenylpropane-1-sulfonate (90220-58-9) → 3-Phenyl-propane-1-sulfonyl chloride (63014-04-0)

Guidance literature:

With thionyl chloride;

DOI:10.1021/jo00191a014

upstream raw materials:

1,2-bis(3-phenylpropyl)disulfane

sodium 3-phenylpropane-1-sulfonate

2-Dimethylamino-ethanesulfonic acid 3-phenyl-propyl ester; compound with toluene-4-sulfonic acid

1-Bromo-3-phenylpropane

Downstream raw materials:

N-cyclohexyl-3-phenyl-1-propane-sulfonamide

N-tert-butyl-3-phenyl-1-propane-sulfonamide

1,2,3,4-tetrahydroisoquinoline

3-phenyl-1-propane-sulfonamide