(3aS,4S,6S,7aR)-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole

Base Information

Chemical Name:(3aS,4S,6S,7aR)-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole
CAS No.:85167-10-8
Molecular Formula:C14H25 B O2
Molecular Weight:236.162
Hs Code.:2933998090
DSSTox Substance ID:DTXSID90448114
Nikkaji Number:J918.430I
Wikidata:Q82267057
Mol file:85167-10-8.mol

Synonyms:85167-10-8;(3aS,4S,6S,7aR)-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole;(1S,2S,6R,8S)-4-butyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane;DTXSID90448114;IMUJPBOUZJFWJB-FMSGJZPZSA-N;AKOS015991266;BS-2115;CS-0456228;A863675;(1S,2S,3R,5S)-2,3-(Butylboranediylbisoxy)pinane;(1S,2S,3R,5S)-(+)-2,3-Pinanediol butylboronate;1-Butylboronic acid(1S,2S,3R,5S)-(+)-2,3-pinanediol ester;n-Butaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester;(1S,2S,6R,8S)-4-butyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decane;(3aS,4S,6S,7aR)-2-Butyl-3a,5,5-trimethylhexahydro-2H-4,6-methano-1,3,2-benzodioxaborole

Suppliers and Price of (3aS,4S,6S,7aR)-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole

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
(3aS,4S,6S,7aR)-2-Butylhexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole
500mg
$ 160.00

TRC
(3aS,4S,6S,7aR)-2-Butylhexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole
5g
$ 1025.00

Medical Isotopes, Inc.
(3aS,4S,6S,7aR)-2-Butylhexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole
5 g
$ 1100.00

Matrix Scientific
n-Butaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester
500mg
$ 390.00

Matrix Scientific
n-Butaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester
1g
$ 487.00

Crysdot
(3aS,4S,6S,7aR)-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole 95+%
5g
$ 422.00

Chemenu
(3aS,4S,6S,7aR)-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole 95%
1g
$ 114.00

Chemenu
(3aS,4S,6S,7aR)-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole 95%
5g
$ 342.00

Apolloscientific
n-Butaneboronicacid(1S,2S,3R,5S)-(+)-2,3-pinanediolester
500mg
$ 270.00

Apolloscientific
n-Butaneboronicacid(1S,2S,3R,5S)-(+)-2,3-pinanediolester
1g
$ 363.00

Total 18 raw suppliers

Chemical Property of (3aS,4S,6S,7aR)-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole

Chemical Property:

Vapor Pressure:0.008mmHg at 25°C
Refractive Index:1.4629
Boiling Point:277.13°C at 760 mmHg
Flash Point:121.404°C
PSA：18.46000
Density:0.982g/cm³
LogP:3.51480
Storage Temp.:2-8°C
Solubility.:Ethanol, Ethyl Acetate
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:236.1947602
Heavy Atom Count:17
Complexity:317

Purity/Quality:

97% ^*data from raw suppliers

(3aS,4S,6S,7aR)-2-Butylhexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B1(OC2CC3CC(C3(C)C)C2(O1)C)CCCC
Isomeric SMILES:B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)CCCC
Uses (3aS,4S,6S,7aR)-2-Butylhexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole is an intermediate in the preparation of Bortezomib (B675700), a dipeptidyl boronate proteasome inhibitor.

Technology Process of (3aS,4S,6S,7aR)-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole

There total 1 articles about (3aS,4S,6S,7aR)-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole 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: 98.0%

: 4426-47-5
butylboronic acid

: 18680-27-8
pinanediol

: 85167-10-8
(s)-pinanediol butylboronate

Guidance literature:: In diethyl ether; at 20 ℃; for 3h;
DOI:10.1016/j.bmcl.2005.06.076

Reference yield: 73.0%

: 586-77-6
4-bromo-N,N-dimethylaniline

: 85167-10-8
(s)-pinanediol butylboronate

: 13330-29-5
4-n-butyl-N,N-dimethylaniline

Guidance literature:: (s)-pinanediol butylboronate; With sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -78 - 20 ℃; for 1.5h;

4-bromo-N,N-dimethylaniline; With sodium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; at 70 - 80 ℃;
DOI:10.1016/S0040-4039(01)01128-5

Reference yield: 72.0%

: 85167-10-8
(s)-pinanediol butylboronate

: (6-bromo-hex-5-enyloxy)-tert-butyl-diphenyl-silane

: tert-Butyl-[((Z)-dec-5-enyl)oxy]-diphenyl-silane

Guidance literature:: (s)-pinanediol butylboronate; With sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -78 - 20 ℃; for 1.5h;

(6-bromo-hex-5-enyloxy)-tert-butyl-diphenyl-silane; With sodium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; at 70 - 80 ℃;
DOI:10.1016/S0040-4039(01)01128-5