[5-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]acetic acid

Base Information

Chemical Name:[5-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]acetic acid
CAS No.:872674-62-9
Molecular Formula:C24H20ClNO2
Molecular Weight:389.881
Hs Code.:
ChEMBL ID:CHEMBL371299
DSSTox Substance ID:DTXSID90470334
Wikidata:Q82298403

Synonyms:CHEMBL371299;872674-62-9;[5-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]acetic acid;2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)acetic acid;DTXSID90470334;BDBM50180078

Suppliers and Price of [5-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]acetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of [5-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]acetic acid

Chemical Property:

PSA：42.23000
LogP:5.86790
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:389.1182566
Heavy Atom Count:28
Complexity:511

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)Cl)CC(=O)O

Technology Process of [5-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]acetic acid

There total 3 articles about [5-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]acetic 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: 86.0%

: 872674-61-8
methyl [5-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]acetate

: 872674-62-9
[5-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]acetic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; methanol; at 50 ℃;
DOI:10.1021/jm0507882

Reference yield:

: 172595-66-3
methyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate

: 872674-62-9
[5-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaH / dimethylformamide / 0.5 h / 0 °C

1.2: 77 percent / dimethylformamide / 0 - 20 °C

2.1: 86 percent / aq. NaOH / tetrahydrofuran; methanol / 50 °C

With sodium hydroxide; sodium hydride; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm0507882

Reference yield:

: 1075-35-0
5-chloro-2-methylindole

: 872674-62-9
[5-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C

1.2: zinc chloride / tetrahydrofuran; hexane / -78 - 20 °C

1.3: 46 percent / tetrahydrofuran; hexane / 20 °C

2.1: NaH / dimethylformamide / 0.5 h / 0 °C

2.2: 77 percent / dimethylformamide / 0 - 20 °C

3.1: 86 percent / aq. NaOH / tetrahydrofuran; methanol / 50 °C

With sodium hydroxide; n-butyllithium; sodium hydride; In tetrahydrofuran; methanol; hexane; N,N-dimethyl-formamide;
DOI:10.1021/jm0507882