CAS No.77943-39-6,(4R,5S)-(+)-4-METHYL-5-PHENYL-2-OXAZOLIDINONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	77943-39-6
Name:	(4R,5S)-(+)-4-METHYL-5-PHENYL-2-OXAZOLIDINONE
Article Data:	90
Cas Database

Formula:	C₁₀H₁₁NO₂
Molecular Weight:	177.203
Synonyms:	2-Oxazolidinone,4-methyl-5-phenyl-, (4R-cis)-;(4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone;(4R,5S)-4-Methyl-5-phenyl-2-oxazolidinone;(4R,5S)-4-Methyl-5-phenyloxazolidinone;
Density:	1.132 g/cm³
Melting Point:	121-123 °C(lit.)
Boiling Point:	395.8 °C at 760 mmHg
Flash Point:	193.2 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	N
Risk Codes:	N:; "> N:;
Safety:	22-24/25
PSA:	38.33000
LogP:	2.18480

Synthetic route

: 6638-79-5
N,O-dimethylhydroxylamine*hydrochloride

: 779353-80-9
(4R,5S)-3-((E)-(2R,3R)-3-Hydroxy-2,4-dimethyl-hept-4-enoyl)-4-methyl-5-phenyl-oxazolidin-2-one

A: 541511-47-1
(E)-(2R,3R)-3-Hydroxy-2,4-dimethyl-hept-4-enoic acid methoxy-methyl-amide

B: 77943-39-6
4-methyl-5-phenyloxazolidin-2-one

Conditions

Conditions	Yield
Stage #1: N,O-dimethylhydroxylamine*hydrochloride With trimethylaluminum In tetrahydrofuran; toluene at 0 - 20℃; Stage #2: (4R,5S)-3-((E)-(2R,3R)-3-Hydroxy-2,4-dimethyl-hept-4-enoyl)-4-methyl-5-phenyl-oxazolidin-2-one In tetrahydrofuran; toluene at 0℃; for 1h;	A 100% B 272 mg

...Expand

: 6638-79-5
N,O-dimethylhydroxylamine*hydrochloride

: 70-07-5
mephenoxalone

: 77943-39-6
4-methyl-5-phenyloxazolidin-2-one

Conditions

Conditions	Yield
With hydrogenchloride; AlMe3 In tetrahydrofuran; hexane; dichloromethane	100%
With hydrogenchloride; AlMe3 In tetrahydrofuran; hexane; dichloromethane	100%
With hydrogenchloride; AlMe3 In tetrahydrofuran; hexane; dichloromethane	100%

: 201230-82-2
carbon monoxide

: 37577-28-9
(1S,2R)-(+)-norphedrine

: 77943-39-6
4-methyl-5-phenyloxazolidin-2-one

Conditions

Conditions	Yield
With copper diacetate; air; palladium diacetate In toluene under 760 Torr; for 2h; Heating;	99%
With sodium acetate; palladium diacetate In acetonitrile at 20℃; under 760 Torr; Electrolysis;	86%

: 6638-79-5
N,O-dimethylhydroxylamine*hydrochloride

: 132969-62-1
(2'R,3'S,4'S,4R,5S)-3-[3'-hydroxy-5'-(4"-methoxyphenyl)methoxy-2',4'-dimethylpentanoyl]-5-phenyl-4-methyl-2-oxazolidinone

A: 77943-39-6
4-methyl-5-phenyloxazolidin-2-one

B: 252342-49-7
(2R,3S,4S)-3-hydroxy-5-(4-methoxybenzyloxy)-2,4-dimethylpentanoic acid methoxymethylamide

Conditions

Conditions	Yield
Stage #1: N,O-dimethylhydroxylamine*hydrochloride With trimethylaluminum In tetrahydrofuran; hexane at 0 - 20℃; Metallation; Stage #2: (2'R,3'S,4'S,4R,5S)-3-[3'-hydroxy-5'-(4"-methoxyphenyl)methoxy-2',4'-dimethylpentanoyl]-5-phenyl-4-methyl-2-oxazolidinone In tetrahydrofuran; hexane at -20℃; for 2.5h; Substitution; Further stages.;	A 80% B 98%

...Expand

: 124-38-9
carbon dioxide

: 37577-28-9
(1S,2R)-(+)-norphedrine

: 77943-39-6
4-methyl-5-phenyloxazolidin-2-one

Conditions

Conditions	Yield
With triethylamine; acetyl chloride In acetonitrile at -40 - 25℃;	97%
Stage #1: carbon dioxide; (1S,2R)-(+)-norphedrine With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; for 0.75h; Stage #2: With tributylphosphine; di-tert-butyl-diazodicarboxylate In acetonitrile at 0℃; for 0.333333h; Mitsunobu reaction;	84%
With tetramethylphenylguanidine; chlorophosphoric acid diphenyl ester In acetonitrile at -40 - 20℃;	82%
Stage #1: carbon dioxide; (1S,2R)-(+)-norphedrine With N(Et)4(1+)*(2-pyrrolidone-anion) In acetonitrile at 20℃; for 1h; Carboxylation; Stage #2: With p-toluenesulfonyl chloride In acetonitrile at 20℃; Cyclization; Further stages.;	79%

: 179927-67-4
(4R,5S)-(+)-(5-benzyloxy-2-fluoro-3-(E)-pentenoyl)-4-methyl-5-phenyl-2-oxazolidinone

A: 77943-39-6
4-methyl-5-phenyloxazolidin-2-one

B: 179927-65-2
5-O-benzyl-2-deoxy-2-fluoro-L-γ-xylonic lactone

C: 179927-64-1
5-O-benzyl-2-deoxy-2-fluoro-D-γ-xylonic lactone

Conditions

Conditions	Yield
With osmium(VIII) oxide; trimethylamine-N-oxide In water; acetone; tert-butyl alcohol at 20℃; for 2h; Oxidation; cyclization;	A n/a B 94% C 86%

...Expand

: 102-09-0
bis(phenyl) carbonate

: 40626-29-7
Acutrim

: 77943-39-6
4-methyl-5-phenyloxazolidin-2-one

Conditions

Conditions	Yield
With potassium carbonate at 110℃; for 6h;	93%
Stage #1: bis(phenyl) carbonate; Acutrim With potassium carbonate at 100℃; for 6h; Stage #2: In methanol for 0.5h; Heating;

: 954106-23-1
C37H45NO6

A: 954106-40-2
C27H36O5

B: 77943-39-6
4-methyl-5-phenyloxazolidin-2-one

Conditions

Conditions	Yield
With lithium hydroxide; dihydrogen peroxide In tetrahydrofuran at 20℃; for 2h;	A 92% B 79%

: 128891-59-8
(4R,5S)-3-[(Z)-(R)-2-(tert-Butyl-diphenyl-silanyloxy)-dec-4-enoyl]-4-methyl-5-phenyl-oxazolidin-2-one

A: 77943-39-6
4-methyl-5-phenyloxazolidin-2-one

B: 126617-76-3
(2R,4Z)-2(tert-Butyldiphenylsiloxy)-4-decen-1-ol

Conditions

Conditions	Yield
With lithium borohydride; water In tetrahydrofuran; diethyl ether Product distribution; Ambient temperature; other reducing reagents; var. N-acyloxazolidinones;	A n/a B 90%

: 109687-75-4
(4R,5S)-3-((R)-2-Benzyl-4-methyl-pent-3-enoyl)-4-methyl-5-phenyl-oxazolidin-2-one

A: 77943-39-6
4-methyl-5-phenyloxazolidin-2-one

B: 109687-76-5
4-methyl-2(R)-(phenylmethyl)-3-penten-1-ol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at -78 - 0℃; for 1.5h;	A 70% B 90%

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Specification

The (4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone with the CAS number 77943-39-6 is also called 2-Oxazolidinone,4-methyl-5-phenyl-, (4R,5S)-. Both the systematic name and IUPAC name are (4R,5S)-4-methyl-5-phenyl-1,3-oxazolidin-2-one. Its molecular formula is C₁₀H₁₁NO₂. This chemical belongs to the following product categories: (1)Chiral; (2)Peptide. While using this chemical, you should not breathe dust and avoid it contact with skin and eyes.

The properties of the (4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.88; (6)ACD/BCF (pH 7.4): 15.88; (7)ACD/KOC (pH 5.5): 251.93; (8)ACD/KOC (pH 7.4): 251.93; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 48.07 cm³; (15)Molar Volume: 156.4 cm³; (16)Polarizability: 19.05×10^-24cm³; (17)Surface Tension: 36.3 dyne/cm; (18)Enthalpy of Vaporization: 64.6 kJ/mol; (19)Vapour Pressure: 1.79×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2O[C@@H](c1ccccc1)[C@H](N2)C
(2)InChI: InChI=1/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m1/s1
(3)InChIKey: PPIBJOQGAJBQDF-VXNVDRBHBU