(2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid

Base Information

Chemical Name:(2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid
CAS No.:489-87-2
Molecular Formula:C₁₅H₁₆O₂
Molecular Weight:228.291
Hs Code.:
DSSTox Substance ID:DTXSID60964139
Nikkaji Number:J1.524.954D
Metabolomics Workbench ID:139204
ChEMBL ID:CHEMBL497088
Mol file:489-87-2.mol

Synonyms:chamazulene carboxylic acid

Suppliers and Price of (2S)-2-(3,8-dimethylazulen-5-yl)propanoic 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

Total 4 raw suppliers

Chemical Property of (2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid

Chemical Property:

Vapor Pressure:4.32E-07mmHg at 25°C
Boiling Point:399.3°Cat760mmHg
Flash Point:296.1°C
PSA：37.30000
Density:1.136g/cm³
LogP:3.59630
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:228.115029749
Heavy Atom Count:17
Complexity:287

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C=CC(=C2C=C(C=C1)C(C)C(=O)O)C
Isomeric SMILES:CC1=C2C=CC(=C2C=C(C=C1)[C@H](C)C(=O)O)C

Technology Process of (2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid

There total 7 articles about (2S)-2-(3,8-dimethylazulen-5-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: 94.0%

: 111415-94-2
2-(3,8-Dimethyl-azulen-5-yl)-propionic acid methyl ester

: 489-87-2
chamazulenecarboxylic acid

Guidance literature:: With lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 12h;
DOI:10.1002/anie.200501276

Reference yield:

: 867380-21-0
2-(3-chloro-8-methyl-azulen-5-yl)-propionic acid methyl ester

: 489-87-2
chamazulenecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / Pd(OAc)2; K₃PO₄; dpdb / toluene / 24 h / 100 °C

2: 94 percent / LiOH; H₂O / tetrahydrofuran / 12 h / 20 °C

With palladium diacetate; lithium hydroxide; potassium phosphate; water; In tetrahydrofuran; toluene;
DOI:10.1002/anie.200501276

Reference yield:

: 2-((8S,8aR)-3-Chloro-8-methyl-2-oxo-1,2,8,8a-tetrahydro-azulen-5-yl)-propionic acid methyl ester

: 489-87-2
chamazulenecarboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: 92 percent / NaBH₄; CeCl₃ / methanol / 1.5 h / 0 °C

2.1: Burgess reagent / tetrahydrofuran / 1 h / 0 °C

2.2: 55 percent / p-chloranil / tetrahydrofuran / 24 h / 20 °C

3.1: 99 percent / Pd(OAc)2; K₃PO₄; dpdb / toluene / 24 h / 100 °C

4.1: 94 percent / LiOH; H₂O / tetrahydrofuran / 12 h / 20 °C

With palladium diacetate; lithium hydroxide; sodium tetrahydroborate; potassium phosphate; cerium(III) chloride; Burgess Reagent; water; In tetrahydrofuran; methanol; toluene;
DOI:10.1002/anie.200501276