(R)-(+)-4-Isopropyl-2-oxazolidinone

• CAS: 95530-58-8
• Catalog Number: ACM95530588-1
• Category: Other Products
• Molecular Weight: 129.16
• Molecular Formula: C6H11NO2
• Synonyms: (R)-4-Isopropyloxazolidin-2-One; (4R)-4-(Propan-2-Yl)-1,3-Oxazolidin-2-One
• IUPAC Name: (4R)-4-propan-2-yl-1,3-oxazolidin-2-one
• Canonical SMILES: CC(C)C1COC(=O)N1
• InChI: YBUPWRYTXGAWJX-YFKPBYRVSA-N
• InChI Key: InChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m0/s1
• Boiling Point: 291.1ºC at 760 mmHg
• Melting Point: 70-72 °C-lit
• Flash Point: 129.9ºC
• Density: 1.038 g/cm³
• Appearance: Beige crystalline
• EC Number: 619-146-7
• Exact Mass: 129.07900
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Isomeric SMILES: CC(C)[C@@H]1COC(=O)N1
• Safety Description: S22-S24/25
• WGK Germany: 3

Custom Q&A

What is the PubChem CID for (R)-(+)-4-Isopropyl-2-oxazolidinone?

The PubChem CID for (R)-(+)-4-Isopropyl-2-oxazolidinone is 641505.

What is the molecular formula of (R)-(+)-4-Isopropyl-2-oxazolidinone?

The molecular formula of (R)-(+)-4-Isopropyl-2-oxazolidinone is C6H11NO2.

What is the molecular weight of (R)-(+)-4-Isopropyl-2-oxazolidinone?

The molecular weight of (R)-(+)-4-Isopropyl-2-oxazolidinone is 129.16 g/mol.

What is the IUPAC name of (R)-(+)-4-Isopropyl-2-oxazolidinone?

The IUPAC name of (R)-(+)-4-Isopropyl-2-oxazolidinone is (4R)-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the InChI of (R)-(+)-4-Isopropyl-2-oxazolidinone?

The InChI of (R)-(+)-4-Isopropyl-2-oxazolidinone is InChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m0/s1.

What is the InChIKey of (R)-(+)-4-Isopropyl-2-oxazolidinone?

The InChIKey of (R)-(+)-4-Isopropyl-2-oxazolidinone is YBUPWRYTXGAWJX-YFKPBYRVSA-N.

What is the canonical SMILES of (R)-(+)-4-Isopropyl-2-oxazolidinone?

The canonical SMILES of (R)-(+)-4-Isopropyl-2-oxazolidinone is CC(C)C1COC(=O)N1.

How many hydrogen bond donor counts does (R)-(+)-4-Isopropyl-2-oxazolidinone have?

(R)-(+)-4-Isopropyl-2-oxazolidinone has 1 hydrogen bond donor count.

What is the XLogP3-AA value of (R)-(+)-4-Isopropyl-2-oxazolidinone?

The XLogP3-AA value of (R)-(+)-4-Isopropyl-2-oxazolidinone is 1.1.

Is (R)-(+)-4-Isopropyl-2-oxazolidinone a canonicalized compound?

Yes, (R)-(+)-4-Isopropyl-2-oxazolidinone is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 4276-09-9
• 124-38-9

• 95530-58-8

Reference: [1] Journal of Organic Chemistry, 2000, vol. 65, # 15, p. 4759 - 4761
[2] Tetrahedron Letters, 2013, vol. 54, # 35, p. 4717 - 4720

Upstream Synthesis Route 2

• 17016-83-0

• 95530-58-8

Reference: [1]Chemistry Letters,1992,p. 991 - 994

Upstream Synthesis Route 3

• 79069-14-0

• 95530-58-8

Reference: [1]Tetrahedron,1997,vol. 53,p. 1275 - 1294
[2]Chemical and Pharmaceutical Bulletin,1992,vol. 40,p. 1077 - 1079

Downstream Synthesis Route 1

• 123-62-6
• 95530-58-8

• 77877-19-1

Reference: [1] Organic Letters, 2013, vol. 15, # 3, p. 472 - 475

Downstream Synthesis Route 2

• 95530-58-8

• 4276-09-9

Reference: [1] Synlett, 2003, # 12, p. 1903 - 1905

Downstream Synthesis Route 3

• 88819-78-7
• 95530-58-8

• 95470-24-9

Reference: [1]Journal of Organic Chemistry,1987,vol. 52,p. 3168 - 3169

* For details of the synthesis route, please refer to the original source to ensure accuracy.