3-(1-Benzyl-1H-indol-3-yl)propanoic acid

Base Information

• Chemical Name: 3-(1-Benzyl-1H-indol-3-yl)propanoic acid
• CAS No.: 141071-79-6
• Molecular Formula: C18H17NO2
• Molecular Weight: 279.338
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10393612
• Wikidata: Q82192426
• Mol file: 141071-79-6.mol

Synonyms:3-(1-Benzyl-1H-indol-3-yl)propanoic acid;141071-79-6;3-(1-benzylindol-3-yl)propanoic Acid;3-(1-Benzyl-1H-indol-3-yl)-propionic acid;SCHEMBL2006750;DTXSID10393612;QTUJYJWSZIVMMF-UHFFFAOYSA-N;AKOS000263142;3-(1-Benzylindol-3-yl)propionic Acid;AS-80348;3-(1-Benzyl-1H-indol-3-yl)propionic acid;CS-0337366;E85505;1H-Indole-3-propanoic acid, 1-(phenylmethyl)-

Chemical Property of 3-(1-Benzyl-1H-indol-3-yl)propanoic acid

Chemical Property:

• PSA: 42.23000
• LogP: 3.70680
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 279.125928785
• Heavy Atom Count: 21
• Complexity: 351

Purity/Quality:

98% ^*data from raw suppliers

3-(1-Benzyl-1H-indol-3-yl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCC(=O)O

Technology Process of 3-(1-Benzyl-1H-indol-3-yl)propanoic acid

There total 8 articles about 3-(1-Benzyl-1H-indol-3-yl)propanoic acid 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: 75.0%

Indole-3-propionic acid (830-96-6) + benzyl bromide (100-39-0) → 3-(1-Benzylindol-3-yl)propionic Acid (141071-79-6)

Guidance literature:

Indole-3-propionic acid; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

benzyl bromide; In N,N-dimethyl-formamide; for 1h; Further stages.;

DOI:10.1002/ejoc.200600926

Reference yield: 52.0%

N-benzylindole (3377-71-7) → 3-(1-Benzylindol-3-yl)propionic Acid (141071-79-6)

Guidance literature:

Reference yield:

benzyl bromide (100-39-0) + 2-(1H-Indol-3-yl)-propionic acid (2597-26-4) → 3-(1-Benzylindol-3-yl)propionic Acid (141071-79-6)

Guidance literature:

With hydrogenchloride; In hexane; ethyl acetate; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

Indole-3-propionic acid

benzyl bromide

ethyl 3-(1-benzyl-1H-indol-3-yl)propanoate

ethyl 3-(indol-3-yl)propanoate

Downstream raw materials:

(2S)-N-{(2R)-3-(N-benzylindol-3-yl)-2-[(dibenzylamino)methyl]propanoyl}camphorsultam

C₁₈H₁₆ClNO

1’-benzyl-3,4-dihydro-5H-spiro[furan-2,3’-indoline]2’,5-dione

11-benzyl-2-methoxy-1H-benzo[a]carbazole-1,4(11H)-dione