[(1R,3S,4S)-3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]heptan-7-yl]methanesulfonic acid

Base Information

• Chemical Name: [(1R,3S,4S)-3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]heptan-7-yl]methanesulfonic acid
• CAS No.: 5344-58-1
• Molecular Formula: C10H15 Br O4 S
• Molecular Weight: 311.197
• Mol file: 5344-58-1.mol

Synonyms:1263031-97-5;[(1R,3S,4S)-3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]heptan-7-yl]methanesulfonic acid;(+)-3-Bromo-8-camphorsulfonic Acid;SCHEMBL9146509;EN300-265859;W-110028;[(1R,3S,4S)-3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]heptan-7-yl]methanesulfonicacid

Chemical Property of [(1R,3S,4S)-3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]heptan-7-yl]methanesulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 79.82000
• Density: 1.647g/cm³
• LogP: 2.72380
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 309.98744
• Heavy Atom Count: 16
• Complexity: 440

Purity/Quality:

99% ^*data from raw suppliers

(+)-3-Bromo-8-camphorsulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(C1(C)CS(=O)(=O)O)C(C2=O)Br
• Isomeric SMILES: C[C@@]12CC[C@@H](C1(C)CS(=O)(=O)O)[C@@H](C2=O)Br
• Uses: [1R-(endo,anti)]-3-bromo-2-oxobornane-8-sulphonic acid is a chiral reagent used in optical resolution.

Technology Process of [(1R,3S,4S)-3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]heptan-7-yl]methanesulfonic acid

There total 14 articles about [(1R,3S,4S)-3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]heptan-7-yl]methanesulfonic acid 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:

(1R)-3,3-dibromo-2-oxo-bornane-8-sulfonyl chloride → (1R)-3endo-bromo-2-oxo-bornane-8-sulfonic acid (5344-58-1)

Guidance literature:

Reference yield:

→ (1R)-3endo-bromo-2-oxo-bornane-8-sulfonic acid (5344-58-1)

Guidance literature:

α-3-Brom-campher, 1) rauch. H2SO4, 2) NH4OH (ueber d. NH4-Salz);

Reference yield:

3-bromocamphor (76-29-9) → (1R)-3endo-bromo-2-oxo-bornane-8-sulfonic acid (5344-58-1,28309-66-2,46472-20-2,63808-77-5,68510-17-8,89709-21-7,138457-01-9)

Guidance literature:

With sulfuric acid; sulfur trioxide;

upstream raw materials:

(S)-1-(4-methylphenyl)ethylamine

(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

(1R)-3-endo-bromocamphor

3-bromocamphor

Downstream raw materials:

(1R,4R,7R)-7-[(benzylsulfonyl)methyl]-1,7-dimethylbicyclo-[2.2.1]heptan-2-one

corydaline

Mesocorydalin

2,3,9,10-tetramethoxy-13α-methyl-13aα-berbine

Refernces