Monacolin J

Base Information

Chemical Name:Monacolin J
CAS No.:79952-42-4
Deprecated CAS:81739-25-5,76343-78-7
Molecular Formula:C₁₉H₂₈O₄
Molecular Weight:320.429
Hs Code.:
European Community (EC) Number:616-759-1
UNII:P5IQ0SI56N
DSSTox Substance ID:DTXSID801031414
Nikkaji Number:J1.555.930F
Wikipedia:Monacolin_J
Wikidata:Q15720548
Mol file:79952-42-4.mol

Synonyms:monacolin J

Suppliers and Price of Monacolin J

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
6(R)-[2-(8(S)-Hydroxy]-2(S),6(R)-dimethyl-1,2,6,7,8,8a(R)-hexahydro-1(S)-naphthyl]ethyl-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one
100mg
$ 1390.00

American Custom Chemicals Corporation
6(R)-(2-(8(S)-HYDROXY)-2(S),6(R)-DIMETHYL-1,2,6,7,8,8A(R)-HEXAHYDRO-1(S)-NAPHTHYL)ETHYL-4(R)-HYDROXY-3,4,5,6-TETRAHYDRO-2H-PYRAN-2-ONE 95.00%
100MG
$ 1963.50

American Custom Chemicals Corporation
6(R)-(2-(8(S)-HYDROXY)-2(S),6(R)-DIMETHYL-1,2,6,7,8,8A(R)-HEXAHYDRO-1(S)-NAPHTHYL)ETHYL-4(R)-HYDROXY-3,4,5,6-TETRAHYDRO-2H-PYRAN-2-ONE 95.00%
10MG
$ 750.75

Total 13 raw suppliers

Chemical Property of Monacolin J

Chemical Property:

Melting Point:50-53°C
Boiling Point:535.7°Cat760mmHg
PKA:13.49±0.40(Predicted)
Flash Point:191.2°C
PSA：66.76000
Density:1.17g/cm³
LogP:2.59850
Storage Temp.:Hygroscopic, -20°C Freezer, Under Inert Atmosphere
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:320.19875937
Heavy Atom Count:23
Complexity:510

Purity/Quality:

97% ^*data from raw suppliers

6(R)-[2-(8(S)-Hydroxy]-2(S),6(R)-dimethyl-1,2,6,7,8,8a(R)-hexahydro-1(S)-naphthyl]ethyl-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)O
Isomeric SMILES:C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O
Uses Monacolin J is a Simvastatin intermediate; Lovastatin analog has the activities of decreasing blood cholesterol and low-d. lipoprotein, can be used to preparation hypolipidemic medicine.

Technology Process of Monacolin J

There total 16 articles about Monacolin J 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: 89.4%

: 75330-75-5,79952-44-6
lovastatin

: 151006-15-4,79952-42-4,76343-78-7,81739-25-5
(4R,6R)-4-hydroxy-6-(2-((1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl)tetrahydro-2H-pyran-2-one

: 132748-10-8
(3R,5R)-3,5-dihydroxy-7-((1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptanoic acid

Guidance literature:: lovastatin; With ammonia; water; enzyme SEQ ID NO:4 (encoded by SEQ ID NO:3); at 40 ℃; for 18.75 - 27h; pH=9.5; Enzymatic reaction;

In water; pH=2.5; Product distribution / selectivity; Acidic aqueous solution;

Reference yield: 89.0%

: 75330-75-5,79952-44-6
lovastatin

: 151006-15-4,79952-42-4,76343-78-7,81739-25-5
(4R,6R)-4-hydroxy-6-(2-((1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl)tetrahydro-2H-pyran-2-one

Guidance literature:: lovastatin; With water; lithium hydroxide; at 100 ℃;

With hydrogenchloride; In water; pH=< 2;

With calcium hydride; In toluene; at 110 ℃; for 1h;
DOI:10.1021/ja201138v