Methyl(R)-3-hydroxybutyrate

• CAS: 3976-69-0
• Catalog Number: ACM3976690
• Category: Other Products
• Molecular Weight: 118.13g/mol
• Molecular Formula: C5H10O3
• IUPAC Name: methyl (3R)-3-hydroxybutanoate
• Canonical SMILES: CC(CC(=O)OC)O
• InChI: InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1
• InChI Key: LDLDJEAVRNAEBW-SCSAIBSYSA-N
• Complexity: 79.7
• Covalently-Bonded Unit Count: 1
• EC Number: 223-610-0
• Exact Mass: 118.062994g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 8
• Monoisotopic Mass: 118.062994g/mol
• Rotatable Bond Count: 3
• UNII: CL06316S38
• XLogP3: -0.2

Synthetic Use

Upstream Synthesis Route 1

• 186581-53-3
• 625-72-9

• 3976-69-0

Reference: [1]Journal of the American Chemical Society,1981,vol. 103,p. 1224 - 1226
[2]Helvetica Chimica Acta,1982,vol. 65,p. 293 - 301
[3]Phosphorus and Sulfur and the Related Elements,1985,vol. 24,p. 39 - 72
[4]Journal of the American Chemical Society,1995,vol. 117,p. 4279 - 4287

Upstream Synthesis Route 2

• 186581-53-3
• 300-85-6

• 3976-69-0

Reference: [1]Phytochemistry,1986,vol. 25,p. 2219 - 2222

Downstream Synthesis Route 1

• 3976-69-0

• 13613-65-5

Reference: [1] Patent: CN107162893, 2017, A, . Location in patent: Paragraph 0042; 0043

Downstream Synthesis Route 2

• 110-87-2
• 3976-69-0

• 77234-51-6

Reference: [1]Kobayashi; Matsuumi
[Journal of Organic Chemistry, 2000, vol. 65, # 21, p. 7221 - 7224]

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