Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-

Base Information

• Chemical Name: Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-
• CAS No.: 471-77-2
• Molecular Formula: C20H30O2
• Molecular Weight: 302.457
• European Community (EC) Number: 634-885-5
• DSSTox Substance ID: DTXSID10859384
• Wikidata: Q105140851
• Mol file: 471-77-2.mol

Synonyms:Abieta-8(14),13(15)-dien-18-oic acid;Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-;NSC 5007;BRN 2702391;1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, (1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.))-;1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-;SCHEMBL2754764;DTXSID10859384;KGMSWPSAVZAMKR-UHFFFAOYSA-N;1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, (1theta-(1alpha,4abeta,4balpha,10aalpha))-;LS-117904;A7450;Abieta-8(14),13(15)-dien-18-oic acid #;(1R,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid

Chemical Property of Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-

Chemical Property:

• Vapor Pressure: 1.01E-08mmHg at 25°C
• Melting Point: 173.25°C
• Refractive Index: 1.4980 (estimate)
• Boiling Point: 433.4°Cat760mmHg
• PKA: 4.68±0.40(Predicted)
• Flash Point: 206°C
• PSA: 37.30000
• Density: 1.06g/cm³
• LogP: 5.35030
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 302.224580195
• Heavy Atom Count: 22
• Complexity: 552

Purity/Quality:

99% ^*data from raw suppliers

Neoabietic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C
• Uses: Neoabietic Acid is a derivative of Gum Rosin (G855500). It is an abietane-type of diterpene resin acid and reduces the consumption rate, feeding efficiency, and growth rate of the larch sawfly (Pristiphora erichsonii) when applied to their natural food.

Technology Process of Podocarp-8(14)-en-15-oic acid, 13-isopropylidene-

There total 6 articles about Podocarp-8(14)-en-15-oic acid, 13-isopropylidene- 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:

levopimaric acid (79-54-9) → abietic acid (514-10-3) + neoabietic acid (471-77-2)

Guidance literature:

at 155 - 200 ℃;

DOI:10.1021/ja01615a045 DOI:10.1021/ja01628a071

Reference yield:

levopimaric acid (79-54-9) → palustric acid (1945-53-5) + abietic acid (514-10-3) + neoabietic acid (471-77-2)

Guidance literature:

at 155 ℃; Rate constant; thermische Isomerisierung;

DOI:10.1021/ja01628a071

Reference yield:

levopimaric acid (79-54-9) → abietic acid (514-10-3) + neoabietic acid (471-77-2)

Guidance literature:

DOI:10.1021/ja01590a070

upstream raw materials:

levopimaric acid

ethanol

di-isopropyl ether

sulfuric acid

Downstream raw materials:

Retene

leelamine

C₂₇H₃₅NO