(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate

Base Information Edit

Chemical Name:(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
CAS No.:125971-94-0
Molecular Formula:C14H23NO4
Molecular Weight:269.341
Hs Code.:29329990
European Community (EC) Number:425-780-3,603-105-5
UNII:UW4BC1SFB0
DSSTox Substance ID:DTXSID60370195
Nikkaji Number:J867.338A
Wikidata:Q72502751
Mol file:125971-94-0.mol

Synonyms:125971-94-0;(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate;tert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate;tert-Butyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate;tert-butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate;UW4BC1SFB0;1357600-18-0;(4R,6R)-t-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate;(4R-Cis)-1,1-Dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate;MFCD03093958;(6R-Cyanomethyl-2,2-dimethyl-(1,3)dioxan-4R-yl)acetic acid tert-butyl ester;(4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester;(4r-cis)-1, 1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate;1,1-Dimethylethyl 2-[(4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate;1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-;(4R,Cis)-1,1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate;UNII-UW4BC1SFB0;SCHEMBL1261056;DTXSID60370195;AC7715;AKOS015836105;AKOS015900124;AC-6849;AM90282;(4R,6R)-6-Cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester;AS-13571;B3642;CS-0128262;I10007;Q-102783;(3R,5R)-6-Cyano-3,5-(isopropylidenebisoxy)hexanoic acid tert-butyl ester;(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4acetate;tert-Butyl (3R,5R)-6-cyano-3,5-o-iso-propylidene-3,5-dihydroxyhexanoate;tert-Butyl 2-(cis-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate;tert-Butyl2-(cis-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate;((4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-[1,3]dioxan-4-yl)acetic acid tert-butyl ester;((4R,6R)-6-Cyanomethyl-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester;(+/-)-cis-1,1-dimethyl-ethyl 6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate;(+/-)-cis-1,1-dimethylethyl 6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate;(4R cis) 1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate;(4R cis) 1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane4-acetate;(4R-cis)-1,1 dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate;(4R-cis)-1,1-dimethyethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate;(4R-cis)-1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4 -acetate;(4r-cis)-1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate;(4R-cis)-1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl1,3-dioxane-4-acetate;tert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, 97%;tert-Butyl [(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Suppliers and Price of (4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate

Supply Marketing:Edit

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
(4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-aceticAcid1,1-DimethylethylEster
500mg
$ 110.00

TCI Chemical
tert-Butyl (4R,6R)-6-Cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate >98.0%(GC)(N)
5g
$ 70.00

Sigma-Aldrich
tert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate 97%
1g
$ 111.00

Frontier Specialty Chemicals
(4R,6R)-6-Cyanomethyl-2,2-dimethyl-1,3-dioxane-4-aceticacidtert-butylester
1g
$ 41.00

Frontier Specialty Chemicals
(4R,6R)-6-Cyanomethyl-2,2-dimethyl-1,3-dioxane-4-aceticacidtert-butylester
5g
$ 162.00

Crysdot
tert-Butyl2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate 95+%
5g
$ 125.00

Chem-Impex
tert-Butyl(4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate,≥98%(GC) ≥98%(GC)
5G
$ 72.22

Chemenu
tert-Butyl2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate 95%
100g
$ 224.00

Biosynth Carbosynth
(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
10 g
$ 180.00

Biosynth Carbosynth
(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
5 g
$ 100.00

Total 190 raw suppliers

Chemical Property of (4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate Edit

Chemical Property:

Appearance/Colour:white to light yellow crystal powder
Vapor Pressure:1.73E-05mmHg at 25°C
Melting Point:65-69 °C
Refractive Index:1.439
Boiling Point:364.1 °C at 760 mmHg
Flash Point:159.2 °C
PSA：68.55000
Density:1.016 g/cm³
LogP:2.54208
Storage Temp.:2-8°C
Solubility.:soluble in Chloroform
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:269.16270821
Heavy Atom Count:19
Complexity:375

Purity/Quality:

99%, ^*data from raw suppliers

(4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-aceticAcid1,1-DimethylethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1(OC(CC(O1)CC(=O)OC(C)(C)C)CC#N)C
Isomeric SMILES:CC1(O[C@@H](C[C@@H](O1)CC(=O)OC(C)(C)C)CC#N)C
Uses Atorvastatin Intermediate (4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester is an intermediate of Atorvastatin (A791750, Ca salt), a selective, competitive HMG-CoA reductase . Atorvastatin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglyceinhibitorrides in patients with hypercholesterolemia.

Technology Process of (4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate

There total 30 articles about (4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate 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: 90.0%