CID 16219038

Base Information

• Chemical Name: CID 16219038
• CAS No.: 14575-84-9
• Molecular Formula: C10H18BrNO4S
• Molecular Weight: 328.22
• Hs Code.: 29147000
• European Community (EC) Number: 238-616-9
• Mol file: 14575-84-9.mol

Synonyms:14575-84-9;D-3-Bromocamphor-8-sulfonic acid ammonium salt;SCHEMBL8598066;azane;[(1R,3S,4S)-3-bromo-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]methanesulfonic acid

Chemical Property of CID 16219038

Chemical Property:

• Appearance/Colour: White powder.
• Melting Point: 284 °C (dec.)(lit.)
• Refractive Index: 86 ° (C=4, H2O)
• Boiling Point: 477.5 °C at 760 mmHg
• Flash Point: 242.6 °C
• PSA: 83.06000
• Density: 1.4048 (estimate)
• LogP: 3.04770
• Storage Temp.: -20°C Freezer
• Solubility.: Methanol (Slightly), Water (Slightly)
• Water Solubility.: 200 g/L (25 ºC)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 327.01399
• Heavy Atom Count: 17
• Complexity: 440

Purity/Quality:

90-92% ^*data from raw suppliers

D-(+)-α-Bromocamphor-8-sulfonicAcidAmmoniumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(C1(C)CS(=O)(=O)O)C(C2=O)Br.N
• Isomeric SMILES: C[C@@]12CC[C@@H](C1(C)CS(=O)(=O)O)[C@@H](C2=O)Br.N
• Uses: Bromocamphor solutions use in optically resolutions. D-3-Bromocamphor-8-sulfonic acid ammonium salt is used in optical resolutions. It is also used as pharmaceutical intermediates.

Technology Process of CID 16219038

There total 1 articles about CID 16219038 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)-(endo,anti)]-(+)-3-bromocamphor-8-sulfonate (14575-84-9,55870-50-3,74165-69-8,122519-23-7,141435-06-5,145308-69-6)

Guidance literature:

Darst_.;

Reference yield: 69.9%

synephrine (532-80-9,582-84-3,614-35-7,94-07-5) + (+)-3-bromocamphor-8-sulphonic acid ammonium salt (14575-84-9,55870-50-3,74165-69-8,122519-23-7,141435-06-5,145308-69-6) → (+)-2-methylamino-1-(4-hydroxyphenyl)ethanol (+)-3-bromocamphor-8-sulphonate (128441-37-2,128441-38-3)

Guidance literature:

With hydrogenchloride; In water; at 4 ℃;

Reference yield: 60.1%

synephrine (532-80-9,582-84-3,614-35-7,94-07-5) + (-)-3-bromocamphor-8-sulphonic acid ammonium salt (14575-84-9,55870-50-3,74165-69-8,122519-23-7,141435-06-5,145308-69-6) → (-)-2-methylamino-1-(4-hydroxyphenyl)ethanol (-)-3-bromocamphorsulphonate (128441-37-2,128441-38-3)

Guidance literature:

With hydrogenchloride; In water; at 4 ℃;

Downstream raw materials:

N-(2-chloro-5-nitrobenzylidene)-d-α-bromocamphor-?-sulfonamide

(S,S)-(-)-2-(d-α-bromo-?-camphorsulfonyl)-3-(2-chloro-5-nitrophenyl)oxaziridine

(R,R)-(+)-2-(d-α-bromo-?-camphorsulfonyl)-3-(2-chloro-5-nitrophenyl)oxaziridine

(+)-2-methylamino-1-(4-hydroxyphenyl)ethanol (+)-3-bromocamphor-8-sulphonate