2,2,5,7,8-pentamethylchroman-6-sulfonyl Chloride

Base Information

• Chemical Name: 2,2,5,7,8-pentamethylchroman-6-sulfonyl Chloride
• CAS No.: 112160-39-1
• Molecular Formula: C14H19ClO3S
• Molecular Weight: 302.822
• Hs Code.: 2932999099
• European Community (EC) Number: 626-998-3
• DSSTox Substance ID: DTXSID40402569
• Nikkaji Number: J1.046.845K
• Wikidata: Q72499904
• Mol file: 112160-39-1.mol

Synonyms:112160-39-1;2,2,5,7,8-pentamethylchroman-6-sulfonyl Chloride;2,2,5,7,8-Pentamethyl-chromane-6-sulfonyl chloride;2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonyl chloride;2,2,5,7,8-Pentamethylchroman-6-sulphonyl chloride;Pmc-Cl;SCHEMBL838416;DTXSID40402569;UXUOVYKDMGFUDU-UHFFFAOYSA-N;MFCD00065693;2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonyl chloride;AKOS015889781;FT-0609120;2,2,5,7,8-pentamethylchroman-6-sulfonylChloride;A802502;J-002717;2,2,5,7,8-Pentamethylchroman-6-sulfonic acid chloride;2,4-DIHYDROXY-3-(P-HYDROXYPHENYL)-PROPIOPHENONE;2,2,5,7,8-Pentamethyl-chromane-6-sulfonyl chloride, >=97.0% (HPLC)

Chemical Property of 2,2,5,7,8-pentamethylchroman-6-sulfonyl Chloride

Chemical Property:

• Vapor Pressure: 1.39E-06mmHg at 25°C
• Melting Point: 77-82 °C
• Refractive Index: 1.526
• Boiling Point: 410.9 °C at 760 mmHg
• Flash Point: 202.3 °C
• PSA: 51.75000
• Density: 1.205 g/cm³
• LogP: 4.72370
• Storage Temp.: −20°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 302.0743433
• Heavy Atom Count: 19
• Complexity: 440

Purity/Quality:

99% ^*data from raw suppliers

2,2,5,7,8-Pentamethyl-chromane-6-sulfonyl chloride ≥97.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)Cl)C

Technology Process of 2,2,5,7,8-pentamethylchroman-6-sulfonyl Chloride

There total 3 articles about 2,2,5,7,8-pentamethylchroman-6-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: 56.0%

2,2,5,7,8-pentamethyl-chromane (55646-01-0) → 2,2,5,7,8-pentamethylchroman-6-sulfonyl chloride (112160-39-1)

Guidance literature:

With chlorosulfonic acid; In dichloromethane; at -8 - 20 ℃; for 2.8h;

Reference yield:

2,3,5-trimethylphenol (697-82-5) → 2,2,5,7,8-pentamethylchroman-6-sulfonyl chloride (112160-39-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 44 percent / ZnCl₂ / acetic acid / 1.) 23 deg C, 12 h 2.) 150 deg C, 7 h

2: 53 percent / chlorosulphonic acid / CHCl₃ / 1.) -5 deg C, 15 min 2.) -5 deg C -> rt, 1 h

With chlorosulfonic acid; zinc(II) chloride; In chloroform; acetic acid;

DOI:10.1016/S0040-4020(01)86564-9

Reference yield:

isoprene (78-79-5,9003-31-0) → 2,2,5,7,8-pentamethylchroman-6-sulfonyl chloride (112160-39-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 44 percent / ZnCl₂ / acetic acid / 1.) 23 deg C, 12 h 2.) 150 deg C, 7 h

2: 53 percent / chlorosulphonic acid / CHCl₃ / 1.) -5 deg C, 15 min 2.) -5 deg C -> rt, 1 h

With chlorosulfonic acid; zinc(II) chloride; In chloroform; acetic acid;

DOI:10.1016/S0040-4020(01)86564-9

upstream raw materials:

2,2,5,7,8-pentamethyl-chromane

2,3,5-trimethylphenol

isoprene

Downstream raw materials:

N_α-benzyloxycarbonyl-N_G-(2,2,5,7,8-pentamethylchroman-6-sulphonyl)-L-arginine

methyl N-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]imidothiocarbamate

(S)-3-(3-Cyano-phenyl)-2-(2,2,5,7,8-pentamethyl-chroman-6-sulfonylamino)-propionic acid methyl ester

N^α-benzyloxycarbonyl-β-(2,2,5,7,8-pentamethylchroman-6-sulfonyl)guanidino-L-α-alanine

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 112160-39-1 2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride

Send

Send

Metric Ton KG G Pound L ML

Send

Send