Methyl isodextropimarate

Base Information

• Chemical Name: Methyl isodextropimarate
• CAS No.: 1686-54-0
• Molecular Formula: C21H32O2
• Molecular Weight: 316.484
• UNII: 63SNE896QF
• Nikkaji Number: J144.087J
• Wikidata: Q104935395
• Mol file: 1686-54-0.mol

Synonyms:Methyl isodextropimarate;Methyl sandaracopimarate;1686-54-0;Isodextropimaric acid methyl ester;63SNE896QF;Cryptopimaric acid, methyl ester;Sandaracopimaric acid, methyl ester;Podocarp-8(14)-en-15-oic acid, 13.beta.-methyl-13-vinyl-, methyl ester;1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,10a.alpha.)]-;methyl (1R,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate;1-PHENANTHRENECARBOXYLIC ACID, 7-ETHENYL-1,2,3,4,4A,4B,5,6,7,9,10,10A-DODECAHYDRO-1,4A,7-TRIMETHYL-, METHYL ESTER, (1R-(1.ALPHA.,4A.BETA.,4B.ALPHA.,7.ALPHA.,10A.ALPHA.))-;Methyl pimara-8(14),15-dien-18-oate #;UNII-63SNE896QF;BGCXKCIPDDNDEV-GBMAXXPESA-N;delta8a,8-Isopimaric acid, methyl ester;.DELTA.8A,8-ISOPIMARIC ACID, METHYL ESTER;13beta-Methyl-13-vinylpodocarp-8(14)-en-18-oic acid methyl ester;Podocarp-8(14)-en-15-oic acid, 13beta-methyl-13-vinyl-, methyl ester;1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, (1R-(1alpha,4abeta,4balpha,7alpha,10aalpha))-

Chemical Property of Methyl isodextropimarate

Chemical Property:

• Melting Point: 61.5-62 °C
• Boiling Point: 380.6±42.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.01±0.1 g/cm3(Predicted)
• LogP: 5.29460
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 316.240230259
• Heavy Atom Count: 23
• Complexity: 548

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)OC)C)C=C
• Isomeric SMILES: C[C@@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)C=C

Technology Process of Methyl isodextropimarate

There total 10 articles about Methyl isodextropimarate 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: 100.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + sandaracopimaric acid (471-74-9) → methyl sandaracopimarate (1686-54-0)

Guidance literature:

In diethyl ether; Ambient temperature;

DOI:10.1016/S0040-4020(01)80046-6

Reference yield:

sandaracopimaric acid (471-74-9) → methyl sandaracopimarate (1686-54-0)

Guidance literature:

methylation;

DOI:10.1016/S0040-4020(01)96547-0

Reference yield:

→ methyl sandaracopimarate (1686-54-0)

Guidance literature:

Sandaracopimarsaeure, Diazomethan;

upstream raw materials:

diazomethane

sandaracopimaric acid

Downstream raw materials:

sandaracopimarinal

methyl 16-tert-butyldiphenylsyloxy-13-epi-pimar-8⁽¹⁴⁾-en-18-oate

sandaracopimaradiene

methyl 14-oxo-16-triphenylmethoxy-8α-isopimarate