(S,S,R,S)-Orlistat

Base Information

Chemical Name:(S,S,R,S)-Orlistat
CAS No.:130193-42-9
Molecular Formula:C₂₉H₅₃NO₅
Molecular Weight:495.744
Hs Code.:
DSSTox Substance ID:DTXSID80432446
Nikkaji Number:J3.066.383G
Wikidata:Q82246509
ChEMBL ID:CHEMBL4291122
Mol file:130193-42-9.mol

Synonyms:(S,S,R,S)-Orlistat;130193-42-9;CHEMBL4291122;[(2S)-1-[(2R,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate;DTXSID80432446;BDBM50465321;N-Formyl-L-leucine (S)-1-[[(2R,3S)-3-hexyl-4-oxooxetane-2-yl]methyl]dodecyl ester

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

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
(S,S,R,S)-Orlistat
5mg
$ 960.00

American Custom Chemicals Corporation
(S,S,R,S)-ORLISTAT 95.00%
10MG
$ 8729.70

Total 4 raw suppliers

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

Chemical Property:

PSA：85.19000
LogP:7.72220
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:

85.0-99.8% ^*data from raw suppliers

(S,S,R,S)-Orlistat ^*data from reagent 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 (S,S,R,S)-Orlistat is the Orlistat isomer,it is used in the asymmetric synthesis.

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

There total 259 articles about (S,S,R,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