Allenolic acid

Base Information

Chemical Name:Allenolic acid
CAS No.:553-39-9
Molecular Formula:C₁₃H₁₂O₃
Molecular Weight:216.236
Hs Code.:2918199090
NSC Number:60458
UNII:I2MQT1CC3H
DSSTox Substance ID:DTXSID10203823
Nikkaji Number:J11.552E
Wikipedia:Allenolic_acid
Wikidata:Q27116133
Mol file:553-39-9.mol

Synonyms:2-naphthalenepropanoic acid, 6-hydroxy-;allenolic acid

Suppliers and Price of Allenolic 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
Packaging
price

American Custom Chemicals Corporation
ALLENOLIC ACID 95.00%
5MG
$ 495.61

Total 7 raw suppliers

Chemical Property of Allenolic acid

Chemical Property:

Vapor Pressure:8.16E-09mmHg at 25°C
Melting Point:180-181°
Refractive Index:1.5090 (estimate)
Boiling Point:448.1°Cat760mmHg
PKA:4.55±0.10(Predicted)
Flash Point:238.9°C
PSA：57.53000
Density:1.303g/cm³
LogP:2.56260
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:216.078644241
Heavy Atom Count:16
Complexity:252

Purity/Quality:

99% ^*data from raw suppliers

ALLENOLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=CC(=C2)O)C=C1CCC(=O)O
Uses In biochemical research, in the preparation of estrogenic Compounds.

Technology Process of Allenolic acid

There total 6 articles about Allenolic 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:

: benzyl 3-(6-hydroxy-2-naphthyl)acrylate

: 553-39-9
3-(6-hydroxy-2-naphthyl)propionic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In tetrahydrofuran; for 3.5h; under 2068.59 Torr;
DOI:10.1002/anie.200502675

Reference yield:

: 15231-91-1
6-bromo-naphthalen-2-ol

: 553-39-9
3-(6-hydroxy-2-naphthyl)propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: NaHCO₃ / (PPh₃)2PdCl₂ / 1-methyl-pyrrolidin-2-one / 13 h / 130 °C

2: H₂ / Pd/C / tetrahydrofuran / 3.5 h / 2068.59 Torr

With hydrogen; sodium hydrogencarbonate; bis-triphenylphosphine-palladium(II) chloride; palladium on activated charcoal; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one;
DOI:10.1002/anie.200502675

Reference yield:

: 92190-50-6
C₁₄H₁₄O₃

: 553-39-9
3-(6-hydroxy-2-naphthyl)propionic acid

Guidance literature:: C₁₄H₁₄O₃; With methanol; sodium hydroxide; water; In tetrahydrofuran; for 6h;

With hydrogenchloride; In tetrahydrofuran; water; pH=7;