(S,R,S,S)-Orlistat

Base Information Edit

Chemical Name:(S,R,S,S)-Orlistat
CAS No.:111466-63-8
Molecular Formula:C₂₉H₅₃NO₅
Molecular Weight:495.744
Hs Code.:
UNII:8AFA348TR6
ChEMBL ID:CHEMBL4282614
Mol file:111466-63-8.mol

Synonyms:(S,R,S,S)-Orlistat;CHEMBL4282614;111466-63-8;Orlistat, (S,R,S,S)-;Orlistat (S,R,S,S)-Isomer;8AFA348TR6;SCHEMBL10929482;BDBM50465317;L-Leucine, N-formyl-, (1R)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester;N-Formyl-L-leucine (1R)-1-[[(2S,3S)-3-Hexyl-4-oxo-2-oxetanyl]methyl]dodecyl Ester;(2R)-1-[(2S,3S)-3-HEXYL-4-OXOOXETAN-2-YL]TRIDECAN-2-YL (2S)-2-FORMAMIDO-4-METHYLPENTANOATE;L-Leucine, N-formyl-, 1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]dodecyl ester, [2S-[2alpha(S*),3beta]]-

Suppliers and Price of (S,R,S,S)-Orlistat

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

Total 5 raw suppliers

Chemical Property of (S,R,S,S)-Orlistat Edit

Chemical Property:

Vapor Pressure:4.23E-15mmHg at 25°C
Boiling Point:615.9°C at 760 mmHg
Flash Point:326.3°C
PSA：81.70000
Density:0.976g/cm³
LogP:7.90870
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:10
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:23
Exact Mass:495.39237379
Heavy Atom Count:35
Complexity:579

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O
Isomeric SMILES:CCCCCCCCCCC[C@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Uses Orlistat isomer. (S,R,S,S)-Orlistat is used in the asymmetric synthesis of

Technology Process of (S,R,S,S)-Orlistat

There total 241 articles about (S,R,S,S)-Orlistat 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: 95.2%

: 96829-59-3
(-)-lipstatin

: 104872-04-0,104872-27-7,104872-28-8,111466-61-6,111466-62-7,111466-63-8,130193-40-7,130193-41-8,130193-42-9,130193-43-0,96829-58-2,1225451-00-2
Orlistat

Guidance literature:: With sodium tetrahydroborate; (R,R)-(-)-N,N'-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine cobalt; copper(l) chloride; In acetonitrile; at 15 ℃; Temperature; Reagent/catalyst; Inert atmosphere;

Reference yield: 94.0%

: 5338-45-4,44978-39-4,89921-44-8,6113-61-7
N-formyl-L-leucine

: 68711-40-0,104871-99-0,104872-00-6,104872-03-9,104872-05-1,104872-07-3,104872-19-7,104872-06-2
(3S,4S)-3-hexyl-4-[(R)-2-hydroxytridecyl]-2-oxetanone

: 104872-04-0,104872-27-7,104872-28-8,111466-61-6,111466-62-7,111466-63-8,130193-40-7,130193-41-8,130193-42-9,130193-43-0,96829-58-2,1225451-00-2
Orlistat

Guidance literature:: With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1021/0l1002913