3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Base Information

• Chemical Name: 3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
• CAS No.: 76-29-9
• Molecular Formula: C10H15BrO
• Molecular Weight: 231.132
• European Community (EC) Number: 200-950-8,233-652-1,623-545-1
• NSC Number: 26355
• DSSTox Substance ID: DTXSID10858711
• Nikkaji Number: J149.731F,J4.171H
• Wikidata: Q4096902
• ChEMBL ID: CHEMBL4303364
• Mol file: 76-29-9.mol

Synonyms:3-Bromocamphor;76-29-9;3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;(+)-3-Bromocamphor;3-Bromo-2-bornanone;Camphor bromide;10293-06-8;3-Bromo camphor;D-3-BROMOCAMPHOR;d-alpha-Bromocamphor;d-.alpha.-Bromocamphor;D-(-)3-bromo Camphor;S-(-)-3-Bromocamphor;3-Bromobornan-2-one;Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-;Camphor, monobromated [USP IX];3-Bromo-d-camphor;EINECS 200-950-8;NSC 26355;Endo-3-bromo-D-camphor;2-Bornanone, 3-bromo-;3-Bromo-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one;Bicyclo(2.2.1)heptan-2-one, 3-bromo-1,7,7-trimethyl-;2-Bornanone, 3-bromo-, (1R,3S,4S)-(+)-;Camphor, 3-alpha-bromo-, (+)-;EINECS 233-652-1;NSC-26355;Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1R,3S,4S)-rel-;BRN 3603833;1925-58-2;UNII-NAY429URSN;Camphor, monobromated [USP];64474-54-0;C10-H15-Br-O;Bromcampher;[1(r)-endo]-(+)-3-bromocamphor;Bicyclo(2.2.1)heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1R-endo)-;3-brombornan-2-on;3-bromo-d-2-bornanone;3-Bromo-(+)-camphor;(1R,3S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;Camphor, 3-bromo- (6CI);(1R-endo)-3-Bromo-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one;(1R-endo)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;SCHEMBL1004582;3 - bromobornan - 2 - one;CHEMBL4303364;DTXSID10858711;AMY25511;NSC26355;MFCD00065907;STK121291;((1R)-endo)-(+)-3-Bromocamphor;AKOS000495036;AKOS022060579;2-Bornanone, 3-bromo- (7CI,8CI);AC-11181;LS-43688;LS-45105;CS-0455600;FT-0605099;FT-0624393;FT-0640951;Bicyclo[2.2.1]heptan-2-one,7,7-trimethyl-;EN300-297762;A800648;A900578;AN-329/40652623;SR-01000944691;3-Bromo-1,7-trimethylbicyclo[2.2.1]heptan-2-one;Q4096902;SR-01000944691-1;W-104368;F1652-0855;endo-(1R)-3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;(1r-endo)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;endo-3-Bromo-D-camphor

Chemical Property of 3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Chemical Property:

• Vapor Pressure: 0.0284mmHg at 25°C
• Melting Point: 75-77 °C
• Refractive Index: 1.528
• Boiling Point: 245.6 °C at 760 mmHg
• Flash Point: 35.8 °C
• PSA: 17.07000
• Density: 1.365 g/cm³
• LogP: 2.77510
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 230.03063
• Heavy Atom Count: 12
• Complexity: 246

Purity/Quality:

97% ^*data from raw suppliers

L-3-BROMOCAMPHOR Aldrich ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C2CCC1(C(=O)C2Br)C)C

Technology Process of 3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

There total 32 articles about 3-Bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one 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: 85.0%

3-bromoborneol (78339-66-9) → 3-bromocamphor (76-29-9)

Guidance literature:

With trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane; In acetonitrile; at 20 ℃; for 0.466667h; chemoselective reaction;

DOI:10.1007/s13738-013-0235-3

Reference yield: 60.0%

rac-endo-borneol (6627-72-1) → 1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one (736109-58-3,787517-91-3,68546-28-1) + 3-bromocamphor (76-29-9)

Guidance literature:

With potassium bromate; perchloric acid; mercury(II) diacetate; In acetic acid;

Reference yield:

3,3-dibromo-bornan-2-one (514-12-5) → 3-bromocamphor (76-29-9) + Camphor (76-22-2,68546-28-1)

Guidance literature:

α.α'-dibromo-d-camphor;

upstream raw materials:

Camphor

rac-endo-borneol

3,3-dibromocamphor

3-hydroxymethylcamphor

Downstream raw materials:

3,3-dibromocamphor

4,7,7,4',7',7'-hexamethyl-[2,2']binorbornyl-3,3'-dione

3-bromo-3-nitro-bornan-2-one

3,3-dibromo-bornan-2-one