Anhydrobrazilic acid

Base Information

• Chemical Name: Anhydrobrazilic acid
• CAS No.: 29107-21-9
• Molecular Formula: C12H10 O5
• Molecular Weight: 234.208
• ChEMBL ID: CHEMBL3039171
• DSSTox Substance ID: DTXSID30401728
• Wikidata: Q27194423
• Mol file: 29107-21-9.mol

Synonyms:ANHYDROBRAZILIC ACID;29107-21-9;KBio1_001382;2-(7-Methoxy-4-oxo-4H-chromen-3-yl)acetic acid;Spectrum_000603;SpecPlus_000342;Spectrum2_000196;Spectrum3_000184;Spectrum4_001502;Spectrum5_000263;BSPBio_001707;KBioGR_002163;KBioSS_001083;SPECTRUM200457;DivK1c_006438;SPBio_000151;CHEMBL3039171;KBio2_001083;KBio2_003651;KBio2_006219;KBio3_001207;DTXSID30401728;CHEBI:113533;CCG-38402;SDCCGMLS-0066377.P001;NCGC00095480-01;NCGC00095480-02;NCGC00179068-01;SR-05000002477;2-(7-methoxy-4-oxo-1-benzopyran-3-yl)acetic acid;SR-05000002477-1;BRD-K78414110-001-02-8;BRD-K78414110-001-03-6;Q27194423

Chemical Property of Anhydrobrazilic acid

Chemical Property:

• PSA: 76.74000
• LogP: 1.42870
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 234.05282342
• Heavy Atom Count: 17
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=O)C(=CO2)CC(=O)O

Technology Process of Anhydrobrazilic acid

There total 1 articles about Anhydrobrazilic 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:

(+/-)-(3-amino-7-methoxy-4-oxo-chroman-3-yl)-acetic acid → (7-methoxy-4-oxo-4H-chromen-3-yl)-acetic acid (29107-21-9) + 2-(2-carboxymethoxy-4-methoxy-benzoyl)-4,5-dimethoxy-benzoic acid (5653-41-8)

Guidance literature:

With hydrogenchloride; sodium nitrite;

Reference yield:

(7-methoxy-4-oxo-4H-chromen-3-yl)-acetic acid (29107-21-9) → formic acid (64-18-6) + 4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid (14617-02-8)

Guidance literature:

Reference yield:

(7-methoxy-4-oxo-4H-chromen-3-yl)-acetic acid (29107-21-9) → 4-methoxysalicylic acid (2237-36-7)

Guidance literature:

Downstream raw materials:

4-methoxysalicylic acid

formic acid

4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid

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