(S)-2-trans-abscisic acid

Base Information

• Chemical Name: (S)-2-trans-abscisic acid
• CAS No.: 6755-41-5
• Molecular Formula: C15H20O4
• Molecular Weight: 264.321
• Hs Code.: 2918990090
• European Community (EC) Number: 244-319-5
• DSSTox Substance ID: DTXSID401339737
• Nikkaji Number: J622.854B,J751.661D
• Wikipedia: Abscisic_acid
• Wikidata: Q27109089
• Metabolomics Workbench ID: 28227
• Mol file: 6755-41-5.mol

Synonyms:2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (S-(Z,E))-;Abscisic Acid;Abscisic Acid Monoammonium Salt, (R)-Isomer;Abscisic Acid, (+,-)-Isomer;Abscisic Acid, (E,E)-(+-)-Isomer;Abscisic Acid, (E,Z)-(+,-)-Isomer;Abscisic Acid, (R)-Isomer;Abscisic Acid, (Z,E)-Isomer;Abscissic Acid;Abscissins

Chemical Property of (S)-2-trans-abscisic acid

Chemical Property:

• Vapor Pressure: 2.41E-10mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 458.7°C at 760 mmHg
• Flash Point: 245.4°C
• PSA: 74.60000
• Density: 1.193g/cm³
• LogP: 2.24990
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 264.13615911
• Heavy Atom Count: 19
• Complexity: 494

Purity/Quality:

98%Min ^*data from raw suppliers

(+)-trans,trans-AbscisicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C
• Isomeric SMILES: CC1=CC(=O)CC([C@]1(/C=C/C(=C/C(=O)O)/C)O)(C)C
• Recent ClinicalTrials: Abscisic Acid Effects on Glucose Homeostasis and Insulin Sensitivity
• Uses: (+)-trans,trans-Abscisic Acid can be used for biological study of analysis of antioxidant properties and major components of the ext. of Paulownia tomentosa Steud flowers.

Technology Process of (S)-2-trans-abscisic acid

There total 61 articles about (S)-2-trans-abscisic 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:

abscisic acid 2-nitrobenzyl ester → 2-Nitrobenzyl alcohol (612-25-9) + 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)

Guidance literature:

With water; at 30 ℃; for 168h; Sealed tube; Irradiation;

DOI:10.1016/j.phytol.2015.04.015

Reference yield:

4-O-sulpho-β-D-glucopyranosyl abscisate → D-glucose (50-99-7) + 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)

Guidance literature:

With hydrogenchloride; In water; at 80 ℃; for 2h;

DOI:10.1080/14786419.2015.1126261

Reference yield:

(S)-methyl abscisate (6901-90-2,6901-96-8,14398-52-8,15734-36-8,15734-37-9,20496-94-0,30816-18-3,60102-39-8,79434-13-2,93164-18-2,132340-88-6,132488-74-5,7200-31-9) → methanol (67-56-1) + 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)

Guidance literature:

With water; at 30 ℃; for 168h; Sealed tube; Irradiation;

DOI:10.1016/j.phytol.2015.04.015

upstream raw materials:

(S)-methyl abscisate

(2Z,4E)-5-<(S)-1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl>-3-methylpenta-2,4-dienal

(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid

methyl (2Z,4E)-5-((1S,4S)-1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid

Downstream raw materials:

(S)-methyl abscisate

(2Z,4E)-5-((1S,4S)-1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid

(-) (1'S,2'R)-2',3'-dihydro-abscisic acid

(+)-abscisyl alcohol