7'-Hydroxy ABA

Base Information

• Chemical Name: 7'-Hydroxy ABA
• CAS No.: 91897-25-5
• Molecular Formula: C₁₅H₂₀O₅
• Molecular Weight: 280.321
• ChEMBL ID: CHEMBL396834
• DSSTox Substance ID: DTXSID501313823
• Nikkaji Number: J490.091J
• Wikidata: Q104376106
• Mol file: 91897-25-5.mol

Synonyms:7'-Hydroxy ABA;91897-25-5;CHEMBL396834;SCHEMBL16541462;DTXSID501313823;HY-111975;CS-0094776

Chemical Property of 7'-Hydroxy ABA

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 280.13107373
• Heavy Atom Count: 20
• Complexity: 510

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CC(=O)O)C=CC1(C(=CC(=O)CC1(C)C)CO)O
• Isomeric SMILES: C/C(=C/C(=O)O)/C=C/[C@]1(C(=CC(=O)CC1(C)C)CO)O

Technology Process of 7'-Hydroxy ABA

There total 35 articles about 7'-Hydroxy ABA 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: 90.0%

(2Z,4E)-5-(1-Hydroxy-2-hydroxymethyl-6,6-dimethyl-4-oxo-cyclohex-2-enyl)-3-methyl-penta-2,4-dienoic acid methyl ester (87950-72-9,103462-14-2,134524-18-8) → (+)-7'-hydroxyabscisic acid (91897-25-5,110044-95-6,134676-92-9,144178-08-5)

Guidance literature:

With potassium hydroxide; potassium phosphate buffer; In methanol; porcine liver esterase (EC 3.1.1.1, Sigma E-3128);

DOI:10.1016/S0040-4020(01)86392-4

Reference yield: 89.0%

(2Z,4E)-5-(1-Hydroxy-2-hydroxymethyl-6,6-dimethyl-4-oxo-cyclohex-2-enyl)-3-methyl-penta-2,4-dienoic acid methyl ester (87950-72-9,103462-14-2,134524-18-8) → (-)-7'-hydroxyabscisic acid (91897-25-5,110044-95-6,134676-92-9,144178-08-5)

Guidance literature:

With potassium hydroxide; potassium phosphate buffer; In methanol; porcine liver esterase (EC 3.1.1.1, Sigma E-3128);

DOI:10.1016/S0040-4020(01)86392-4

Reference yield:

(R)-(-)-abscisic acid (14398-53-9) → Phaseic-Saeure (24394-14-7,127516-44-3,128821-87-4) + Abscisic acid (2228-72-0,6755-41-5,7773-56-0,14375-45-2,14398-53-9,14674-85-2,40331-02-0,52392-36-6,72029-68-6,72029-69-7,113349-29-4,21293-29-8) + (S)-7'-hydroxyabscisic acid (91897-25-5)

Guidance literature:

With rice (Oryza sativa L_. cv. Nipponkai) cell culture; In water; at 24 ℃; Kinetics;

DOI:10.1271/bbb.61.1872

upstream raw materials:

(2Z,4E)-5-(1-Hydroxy-2-hydroxymethyl-6,6-dimethyl-4-oxo-cyclohex-2-enyl)-3-methyl-penta-2,4-dienoic acid methyl ester

(Z)-3-methylpent-2-en-4-ynol

4,4-ethylenedioxy-2,2-dimethylcyclohexanone

4,4-ethylenedioxy-2-formyl-6,6-dimethylcyclohex-2-en-1-one