(R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid

Base Information

Chemical Name:(R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid
CAS No.:627871-22-1
Molecular Formula:C18H19FN2O3
Molecular Weight:
Hs Code.:
ChEMBL ID:CHEMBL222816
DSSTox Substance ID:DTXSID40414960
Wikidata:Q82224063

Synonyms:627871-22-1;(R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid;2-[(1R)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid;(R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)aceticacid;SCHEMBL791476;CHEMBL222816;DTXSID40414960;MB14476;[(1R)-5-cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid;Pyrano[3,4-b]indole-1-acetic acid, 5-cyano-6-fluoro-1,3,4,9-tetrahydro-8-methyl-1-propyl-, (1R)-

Suppliers and Price of (R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 14 raw suppliers

Chemical Property of (R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid

Chemical Property:

Vapor Pressure:4.52E-14mmHg at 25°C
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:330.13797063
Heavy Atom Count:24
Complexity:548

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC1(C2=C(CCO1)C3=C(N2)C(=CC(=C3C#N)F)C)CC(=O)O
Isomeric SMILES:CCC[C@]1(C2=C(CCO1)C3=C(N2)C(=CC(=C3C#N)F)C)CC(=O)O

Technology Process of (R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid

There total 15 articles about (R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-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: 91.0%

: 627871-20-9
5-cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid ethyl ester

: 627871-21-0,627871-22-1
5-cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid

Guidance literature:: 5-cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid ethyl ester; With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃;

With hydrogenchloride; In water;

Reference yield:

: 3249-68-1
ethyl butyroyl acetate

: 627871-21-0,627871-22-1
5-cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: BF₃*Et₂O / CH₂Cl₂ / 2 h / 20 °C

2: 1-methyl-pyrrolidin-2-one / 0.25 h / 220 °C / microwave irradiation

3: aq. NaOH / tetrahydrofuran; methanol / 20 °C

With sodium hydroxide; boron trifluoride diethyl etherate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; methanol; dichloromethane;
DOI:10.1021/jm0401255

Reference yield:

: 3249-68-1
ethyl butyroyl acetate

: 627871-22-1
[(1S)-5-cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: BF₃*Et₂O / CH₂Cl₂ / 2 h / 20 °C

2: 1-methyl-pyrrolidin-2-one / 0.25 h / 220 °C / microwave irradiation

3: aq. NaOH / tetrahydrofuran; methanol / 20 °C

4: separation by CHIRAL-PACK-AD HPLC

With sodium hydroxide; boron trifluoride diethyl etherate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; methanol; dichloromethane;
DOI:10.1021/jm0401255