1-(2,2,2-Trifluoroacetyl)indoline-5-sulfonyl chloride

Base Information

• Chemical Name: 1-(2,2,2-Trifluoroacetyl)indoline-5-sulfonyl chloride
• CAS No.: 210691-38-6
• Molecular Formula: C10H7 Cl F3 N O3 S
• Molecular Weight: 313.685
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10454813
• Mol file: 210691-38-6.mol

Synonyms:210691-38-6;1-(2,2,2-trifluoroacetyl)indoline-5-sulfonyl chloride;1-(TRIFLUOROACETYL)INDOLINE-5-SULFONYL CHLORIDE;1-(2,2,2-TRIFLUORO-ACETYL)-2,3-DIHYDRO-1H-INDOLE-5-SULFONYL CHLORIDE;1-(trifluoroacetyl)-2,3-dihydro-1H-indole-5-sulfonyl chloride;1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonyl Chloride;1-(2,2,2-Trifluoroacetyl)-2,3-dihydro-1H-indole-5-sulfonyl chloride;C10H7ClF3NO3S;SCHEMBL1817195;DTXSID10454813;MFCD09261241;1H-Indole-5-sulfonyl chloride, 2,3-dihydro-1-(2,2,2-trifluoroacetyl)-;AKOS024262222;SB35363;CS-0003912;N-trifluoroacetyl-indoline-5-sulfonylchloride;N-trifluoroacetylindoline-5-sulfonyl chloride;F18297;EN300-6249736;1-(2,2,2-trifluoroacetyl)indoline-5-sulfonylchloride

Chemical Property of 1-(2,2,2-Trifluoroacetyl)indoline-5-sulfonyl chloride

Chemical Property:

• PSA: 62.83000
• LogP: 3.21130
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 312.9787264
• Heavy Atom Count: 19
• Complexity: 473

Purity/Quality:

99.3% ^*data from raw suppliers

1-(Trifluoroacetyl)-2,3-dihydro-1H-indole-5-sulfonyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C2=C1C=C(C=C2)S(=O)(=O)Cl)C(=O)C(F)(F)F

Technology Process of 1-(2,2,2-Trifluoroacetyl)indoline-5-sulfonyl chloride

There total 5 articles about 1-(2,2,2-Trifluoroacetyl)indoline-5-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: 73.0%

2,2,2-trifluoro-1-(indolin-1-yl)ethan-1-one (90732-28-8) → 1-(2,2,2-trifluoroacetyl)indolin-5-ylsulfonyl chloride (210691-38-6)

Guidance literature:

With chlorosulfonic acid; thionyl chloride;

DOI:10.1016/j.bmcl.2003.11.007

Reference yield:

1-indoline (496-15-1) → 1-(2,2,2-trifluoroacetyl)indolin-5-ylsulfonyl chloride (210691-38-6)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / CH₂Cl₂ / 0 °C

2: ClSO₃H / 60 °C

With pyridine; chlorosulfonic acid; In dichloromethane;

DOI:10.1016/j.bmcl.2004.09.069

Reference yield:

chlorosulfonic acid (7790-94-5) + 2,2,2-trifluoro-1-(indolin-1-yl)ethan-1-one (90732-28-8) → 1-(2,2,2-trifluoroacetyl)indolin-5-ylsulfonyl chloride (210691-38-6)

Guidance literature:

at 0 - 20 ℃; for 2h; Neat (no solvent);

upstream raw materials:

2,2,2-trifluoro-1-(indolin-1-yl)ethan-1-one

1-indoline

chlorosulfonic acid

Refernces

• 1、 -. "MULTIVALENT RAS BINDING COMPOUNDS". Paragraph 00853. . Retrieved 2017/07/23.
• 2、 -. "BORON-CONTAINING SMALL MOLECULES". . . Retrieved 2011/06/16.