Isomyristicin

Base Information

• Chemical Name: Isomyristicin
• CAS No.: 18312-21-5
• Molecular Formula: C11H12 O3
• Molecular Weight: 192.214
• European Community (EC) Number: 242-198-3
• DSSTox Substance ID: DTXSID901317803
• Nikkaji Number: J15.299D,J2.372.231C
• Wikidata: Q67880222
• Metabolomics Workbench ID: 46901
• ChEMBL ID: CHEMBL1642213
• Mol file: 18312-21-5.mol

Synonyms:Isomyristicin;Trans-isomyristicin;18312-21-5;4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole;(E)-Isomyristicin;EINECS 242-198-3;(E)-4-Methoxy-6-(propen-1-yl)-1,3-benzodioxole;1,3-Benzodioxole, 4-methoxy-6-(1-propen-1-yl)-;487-62-7;CHEMBL1642213;CHEBI:173923;DHUZAAUGHUHIDS-ONEGZZNKSA-N;DTXSID901317803;MFCD00016901;STK693386;AKOS005605020;CS-0328462;4-Methoxy-6-(1-propenyl)-1,3-benzodioxole;4-Methoxy-6-(1-propenyl)-1,3-benzodioxole, 9CI;(E)-4-methoxy-6-(prop-1-enyl)benzo[d][1,3]dioxole;1-Methoxy-2,3-methylenedioxy-5-(1-propenyl)benzene;Q67880222;4-methoxy-6-[(1E)-prop-1-en-1-yl]-1,3-benzodioxole;Z2106609031;(E)-4-methoxy-6-(prop-1-en-1-yl)benzo[d][1,3]dioxole;4-methoxy-6-[(1E)-prop-1-en-1-yl]-2H-1,3-benzodioxole

Chemical Property of Isomyristicin

Chemical Property:

• Vapor Pressure: 0.00384mmHg at 25°C
• Melting Point: 38-40°C
• Boiling Point: 289.3°Cat760mmHg
• Flash Point: 96°C
• PSA: 27.69000
• Density: 1.16g/cm³
• LogP: 2.45700
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

trans-Isomyristicin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC1=CC2=C(C(=C1)OC)OCO2
• Isomeric SMILES: C/C=C/C1=CC2=C(C(=C1)OC)OCO2

Technology Process of Isomyristicin

There total 4 articles about Isomyristicin 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:

myristicin (607-91-0) → trans-isomyristicin (18312-21-5)

Guidance literature:

With potassium hydroxide;

Reference yield:

myristicin (607-91-0) → trans-isomyristicin (18312-21-5) + (Z)-4-methoxy-6-(prop-2-enyl)benzo[d][1,3]dioxole

Guidance literature:

With potassium hydroxide; In ethanol; for 15h; Yield given. Yields of byproduct given; Heating;

DOI:10.1016/S0031-9422(00)82549-2

Reference yield:

(+/-)-1-<3-Methoxy-4,5-(methylenedioxy)benzyl>propanol (119425-99-9) → trans-isomyristicin (18312-21-5) + (Z)-4-methoxy-6-(prop-2-enyl)benzo[d][1,3]dioxole

Guidance literature:

With copper(II) sulfate; In toluene; for 2h; optical yield given as %de; Inert atmosphere; Reflux;

DOI:10.1039/b927558d

upstream raw materials:

myristicin

(+/-)-1-<3-Methoxy-4,5-(methylenedioxy)benzyl>propanol

Downstream raw materials:

4-methoxy-6-propyl-benzo[1,3]dioxole

3-(4-methoxyphenyl)-5-(3-methoxy-4,5-methylenedioxyphenyl)-4-methyl-dihydroisoxazole

3-(4-methoxyphenyl)-4-(3-methoxy-4,5-methylenedioxyphenyl)-5-methyl-4,5-dihydroisoxazole

4-(3-methoxy-4,5-methylenedioxyphenyl)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole

Refernces

• 1、 Teresa, Joaquin de Pascual,Pascual, Marian de,Arias, Alicia,Hernandez, Jose M.,Moran, Joaquin R.,Grande, Manuel. "HELMANTICINE, A PHENYLPROPANOID FROM THAPSIA VILLOSA". . p. 1773 - 1778. Retrieved 1985.