(R)-(−)-3-Bromo-2-methyl-1-propanol - ≥97% , CAS No.93381-28-3

CAS: 93381-28-3 Cat. No.: R469876 Molecular Weight: 153.02 Beilstein Registry Number: 3600269 EC Number: 628-179-6 PubChem CID: 10441885

GRADE & PURITY ≥97%

Synonyms

(R)-(-)-3-Bromo-2-methyl-1-propanol | (R)-(-)-3-bromo-2-methyl1-propanol | (R)-(-)-3bromo-2-methyl-1-propanol | (R)-(+)-3-bromo-2-methyl-1-propanol | AS-60766 | (R)-3-bromo-2-methyl-propan-1-ol | (R)-3-Bromo-2-methylpropan-1-ol | SCHEMBL381232 | (R)-3-bro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Description

(R)-(−)-3-Bromo-2-methyl-1-propanol is used as a starting material in the total syntheses of epothilone C and bistramide A. It can also be used as a structural modifier in the homochiral porous molecular networks.

Specifications

Synonyms

(R)-(-)-3-Bromo-2-methyl-1-propanol | (R)-(-)-3-bromo-2-methyl1-propanol | (R)-(-)-3bromo-2-methyl-1-propanol | (R)-(+)-3-bromo-2-methyl-1-propanol | AS-60766 | (R)-3-bromo-2-methyl-propan-1-ol | (R)-3-Bromo-2-methylpropan-1-ol | SCHEMBL381232 | (R)-3-bro

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504765468
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765468
• Canonical Smiles: CC(CO)CBr
• IUPAC Name: (2R)-3-bromo-2-methylpropan-1-ol
• InChIKey: KIBOHRIGZMLNNS-BYPYZUCNSA-N
• INCHI: 1S/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3/t4-/m0/s1
• Isomeric SMILES: C[C@H](CO)CBr
• PubChem CID: 10441885
• Molecular Weight: 153.02
• Beilstein: 3600269

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: n20/D 1.484 (lit.)
• Specific Rotation[α]: [α]25/D −6.6°, c = 2 in chloroform
• Boil Point(°C): 73-74℃/9mmHg (lit.)
• Molecular Weight: 153.020 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 151.984 Da
• Monoisotopic Mass: 151.984 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 30.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1