2,4-Dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexenyl]-6-pentylbenzoic acid methyl ester

Base Information Edit

Chemical Name:2,4-Dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexenyl]-6-pentylbenzoic acid methyl ester
CAS No.:55658-71-4
Molecular Formula:C₂₃H₃₂O₄
Molecular Weight:372.505
Hs Code.:
UNII:X24LLC5PAP
ChEMBL ID:CHEMBL499043
Nikkaji Number:J1.592.761E
Mol file:55658-71-4.mol

Synonyms:55658-71-4;methyl 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoate;2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentyl-benzoic acid, methyl ester;2,4-Dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexenyl]-6-pentylbenzoic acid methyl ester;cannabidiolic acid methyl ester;CBDA methyl ester;X24LLC5PAP;Cannabidiol acid methyl ester;CHEMBL499043;EPM301;SCHEMBL16541777;EPM-301;Benzoic acid, 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentyl-, methyl ester

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Chemical Property of 2,4-Dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexenyl]-6-pentylbenzoic acid methyl ester Edit

Chemical Property:

XLogP3:6.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:372.23005950
Heavy Atom Count:27
Complexity:553

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCC1=CC(=C(C(=C1C(=O)OC)O)C2C=C(CCC2C(=C)C)C)O
Isomeric SMILES:CCCCCC1=CC(=C(C(=C1C(=O)OC)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O

Technology Process of 2,4-Dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexenyl]-6-pentylbenzoic acid methyl ester

There total 8 articles about 2,4-Dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexenyl]-6-pentylbenzoic acid methyl ester 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: 75.0%

: 67-56-1
methanol

: 1244-58-2
cannabidiolic acid

: 55658-71-4
methyl (1'R,2'R)-2,6-dihydroxy-5'-methyl-4-pentyl-2'-(prop-1 -en-2- yl)-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-3-carboxylate

Guidance literature:: With toluene-4-sulfonic acid; dicyclohexyl-carbodiimide; at 20 ℃; for 0.666667h; Reagent/catalyst; Solvent;

Reference yield: 70.0%

: 58016-28-7
methyl 2,6-dihydroxy-6-pentylbenzoate

: 861892-40-2
(4R)-1-methyl-4-(2-(1-propylene))-2-cyclohexene-2-ol

: 55658-71-4
methyl (1'R,2'R)-2,6-dihydroxy-5'-methyl-4-pentyl-2'-(prop-1 -en-2- yl)-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-3-carboxylate

Guidance literature:: methyl 2,6-dihydroxy-6-pentylbenzoate; (4R)-1-methyl-4-(2-(1-propylene))-2-cyclohexene-2-ol; With boron trifluoride diethyl etherate; In chlorobenzene; at 22 ℃;

With sodium hydrogencarbonate; In chlorobenzene; at 20 ℃; for 0.333333h;