(2S)-2,3-dihydro-1-benzofuran-2-carboxylic acid

Base Information

Chemical Name:(2S)-2,3-dihydro-1-benzofuran-2-carboxylic acid
CAS No.:63559-46-6
Molecular Formula:C9H8O3
Molecular Weight:164.161
Hs Code.:
DSSTox Substance ID:DTXSID70427881
Wikidata:Q82240610

Synonyms:AC1OFKB9;63559-46-6;SCHEMBL5109501;DTXSID70427881;TS-02186;(S)-2,3-Dihydrobenzofuran-2-carboxylic acid

Suppliers and Price of (2S)-2,3-dihydro-1-benzofuran-2-carboxylic acid

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of (2S)-2,3-dihydro-1-benzofuran-2-carboxylic acid

Chemical Property:

Melting Point:115 °C
PSA：46.53000
LogP:1.07470
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:164.047344113
Heavy Atom Count:12
Complexity:190

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(OC2=CC=CC=C21)C(=O)O
Isomeric SMILES:C1[C@H](OC2=CC=CC=C21)C(=O)O

Technology Process of (2S)-2,3-dihydro-1-benzofuran-2-carboxylic acid

There total 1 articles about (2S)-2,3-dihydro-1-benzofuran-2-carboxylic 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:

: 139265-27-3
(S)-2,3-Dihydro-benzofuran-2-carboxylic acid 4-nitro-phenyl ester

: 100-02-7,78813-13-5,89830-32-0
4-nitro-phenol

: 63559-46-6
(-)-2,3-dihydro-1-benzofuran-2-carboxylic acid

Guidance literature:: With Tris-HCl buffer; N,N-dimethyl-formamide; calcium chloride; at 25 ℃; Rate constant; Equilibrium constant; with chymotrypsin, pH 8; k(S/R);
DOI:10.1248/cpb.39.2748

Reference yield: 48.0%

: 100-02-7,78813-13-5,89830-32-0
4-nitro-phenol

: 63559-46-6
(-)-2,3-dihydro-1-benzofuran-2-carboxylic acid

: 139265-27-3
(S)-2,3-Dihydro-benzofuran-2-carboxylic acid 4-nitro-phenyl ester

Guidance literature:: With dicyclohexyl-carbodiimide; In ethyl acetate; 1) 0 deg, 2) r.t.;
DOI:10.1248/cpb.39.2748

Reference yield:

: 63559-46-6
(-)-2,3-dihydro-1-benzofuran-2-carboxylic acid

: (2-{[2-({S}-3-hydroxy-pyrrolidin-I-yl)-{S}-1-phenyl-ethyl]-(S)-methyl-carbamoyl}-2,3-dihydro-benzofuran-5-yl)-carbamic acid methyl ester

Guidance literature:: Multi-step reaction with 5 steps

1.1: HNO₃

1.2: HCl

2.1: H₂ / Pd/C

3.1: Et₃N

4.1: aq. LiOH / methanol; tetrahydrofuran

5.1: O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium*(BF₄)^- / CH₂Cl₂

With lithium hydroxide; hydrogen; nitric acid; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1016/j.bmcl.2005.08.094