3-chloro-1-(2,3-dihydro-1H-indol-1-yl)propan-1-one

Base Information

• Chemical Name: 3-chloro-1-(2,3-dihydro-1H-indol-1-yl)propan-1-one
• CAS No.: 64140-62-1
• Molecular Formula: C11H12 Cl N O
• Molecular Weight: 209.67
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90383475
• Wikidata: Q82175204
• Mol file: 64140-62-1.mol

Synonyms:64140-62-1;1-(3-chloropropanoyl)indoline;3-chloro-1-(2,3-dihydro-1H-indol-1-yl)propan-1-one;3-Chloro-1-(indolin-1-yl)propan-1-one;3-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one;chloropropionylindoline;SCHEMBL4637311;DTXSID90383475;LKCAABJNTGSTHY-UHFFFAOYSA-N;MFCD00463562;STK996990;AKOS000118111;SB64895;s12060;LS-06241;CS-0243073;EN300-25855;F8880-7617;Z217707220

Chemical Property of 3-chloro-1-(2,3-dihydro-1H-indol-1-yl)propan-1-one

Chemical Property:

• Melting Point: 83 °C
• PSA: 20.31000
• LogP: 2.26960
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 209.0607417
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99.0% ^*data from raw suppliers

3-chloro-1-(2,3-dihydro-1H-indol-1-yl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C2=CC=CC=C21)C(=O)CCCl

Technology Process of 3-chloro-1-(2,3-dihydro-1H-indol-1-yl)propan-1-one

There total 2 articles about 3-chloro-1-(2,3-dihydro-1H-indol-1-yl)propan-1-one 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: 100.0%

1-indoline (496-15-1) + 2-chloropropionyl chloride (625-36-5) → N-(β-chloropropionyl)-indoline (64140-62-1)

Guidance literature:

In acetone; at 70 ℃; for 3h;

Reference yield:

→ N-(β-chloropropionyl)-indoline (64140-62-1)

Guidance literature:

DOI:10.1007/BF00779295

Reference yield: 67.0%

N-(β-chloropropionyl)-indoline (64140-62-1) + O-diphenylmethyl 2,2,2-trichloroacetimidate (100865-93-8) → 1-(5-benzhydrylindolin-1-yl)-3-chloropropan-1-one

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 80 ℃; for 8h; regioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1039/d0ob02385j

upstream raw materials:

1-indoline

2-chloropropionyl chloride

Downstream raw materials:

pyroquilone

1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline

8-(2-chloroacetyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one

8-(5-phenylpyridin-3-yl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]-quinolin-4-one