CAS 184346-45-0 (4S)-5,5-Diphenyl-4-(propan-2-yl)-1,3-oxazolidin-2-one (HCID 9838646)

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Basic information

CAS: 184346-45-0
Standard SMILES: CC(C)[C@@H]1NC(=O)OC1(c1ccccc1)c1ccccc1
InChIKey: PHTOJBANGYSTOH-INIZCTEOSA-N
Molecular formula: C18H19NO2
Average molar mass: 281.3 g/mol
Monoisotopic mass: 281.14157885

Names & identifiers

Preferred name: (4S)-5,5-Diphenyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
IUPAC: (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
English name: (S)-(-)-4-ISOPROPYL-5,5-DIPHENYL-2-OXAZOLIDINONE
Molecular formula: C18H19NO2
Molecular weight: 281.35

Names & synonyms

184346-45-0(4S)-5,5-Diphenyl-4-(propan-2-yl)-1,3-oxazolidin-2-oneDTXSID10431649RefChem:209255DTXCID00382479(S)-4-isopropyl-5,5-diphenyloxazolidin-2-one(S)-(-)-4-Isopropyl-5,5-diphenyl-2-oxazolidinoneMFCD03093556(4S)-(-)-4-Isopropyl-5,5-diphenyl-2-oxazolidinone(4S)-5,5-Diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one(4S)-4-isopropyl-5,5-diphenyl-oxazolidin-2-oneSCHEMBL2077738

Show more names

(R)-4-Isopropyl-5,5-diphenyloxazolidin-2-one-5,5-diphenyL5,5-DIPHENYL-4-ISOPROPYLOXAZOLIDINE-2-ONE(S)-(-)-4-ISOPROPYL-5,5-DIPHENYL-2-OXAZOLIDINON(4S)-(-)-4-Isopropyl-5,5-diphenyl-2-oxazolidinone>(S)-4-Isopropyl-5,5-diphenyl-2-oxazolidinone,99%e.e.

2-Oxazolidinone, 4-(1-methylethyl)-5,5-diphenyl-, (4S)-AKOS015838435FI59996AS-66181SY073792(S)-4-isopropyl-5,5-diphenyl-2-oxazolidinoneF219892

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 349

Physicochemical properties

Melting point: 252 · 252-255 °C(lit.)
Boiling point: 475.7 · 475.7±45.0 °C(Predicted)
Density: 1.12 · 1.120±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 11.74 · 11.74±0.60(Predicted)
color: White to Almost white
optical activity: 24 · [α]24/D 220°, c = 1% in chloroform
InChI: InChI=1S/C18H19NO2/c1-13(2)16-18(21-17(20)19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,19,20)/t16-/m0/s1
InChIKey: PHTOJBANGYSTOH-INIZCTEOSA-N
SMILES: O1C(C2=CC=CC=C2)(C2=CC=CC=C2)[C@H](C(C)C)NC1=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements

Safety & regulation

Safety data

wgk: 3
hs_code: 29349990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Chemistry & industry

Suppliers83 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

Related reactions

2 records

New reaction record

HRID 1246376As productuspto-grants-2006_10

HRID 1246377As reactantuspto-grants-2006_10

Compound notes

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