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(S)-N-Boc-3-aminobutyric acid, also known as (S)-3-(Boc-amino)butyric acid, is a white to off-white powder with significant applications in the pharmaceutical and chemical industries. It is a chiral compound that plays a crucial role in the synthesis of various biologically active molecules.

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  • 158851-30-0 Structure
  • Basic information

    1. Product Name: (S)-N-Boc-3-aminobutyric acid
    2. Synonyms: BOC-ALA-(C*CH2)OH;BOC-BETA-HOALA-OH;BOC-BETA-HOMOALA-OH;BOC-L-BETA-HOMOALANINE;BOC PROTECTED (S)-B-AMINOBUTYRIC ACID;(S)-BOC-B2-HOALA-OH;(S)-BOC-BETA2-HAL-OH;(S)-BOC-BETA2-HOMOALANINE
    3. CAS NO:158851-30-0
    4. Molecular Formula: C9H17NO4
    5. Molecular Weight: 203.24
    6. EINECS: 1312995-182-4
    7. Product Categories: N-BOC;β-Homo Amino Acids;Beta amino acids;pharmacetical;Unusual Amino Acids;Amino Acid Derivatives
    8. Mol File: 158851-30-0.mol
  • Chemical Properties

    1. Melting Point: 99 °C
    2. Boiling Point: 339.5 °C at 760 mmHg
    3. Flash Point: 159.1 °C
    4. Appearance: White to light yellow/Powder
    5. Density: 1.101g/cm3
    6. Vapor Pressure: 1.69E-05mmHg at 25°C
    7. Refractive Index: 1.46
    8. Storage Temp.: Store at?0-5°C
    9. Solubility: N/A
    10. PKA: 4.43±0.10(Predicted)
    11. Water Solubility: Slightly soluble in water.
    12. BRN: 6800577
    13. CAS DataBase Reference: (S)-N-Boc-3-aminobutyric acid(CAS DataBase Reference)
    14. NIST Chemistry Reference: (S)-N-Boc-3-aminobutyric acid(158851-30-0)
    15. EPA Substance Registry System: (S)-N-Boc-3-aminobutyric acid(158851-30-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: 22-24/25
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 158851-30-0(Hazardous Substances Data)

158851-30-0 Usage

Uses

Used in Pharmaceutical Industry:
(S)-N-Boc-3-aminobutyric acid is used as a key intermediate for the synthesis of aza-analogues of macrosphelides, which are a class of natural products with potential pharmaceutical applications. These aza-analogues exhibit various biological activities, making them valuable for drug development.
(S)-N-Boc-3-aminobutyric acid is also used as a building block for the synthesis of hybrid peptides with 12/10-helix structures. These hybrid peptides have potential applications in drug design, as they can mimic the structure and function of natural peptides, leading to the development of novel therapeutic agents.
Furthermore, (S)-N-Boc-3-aminobutyric acid is utilized in the synthesis of potentially pharmaceutically active products for the treatment of auto-immune and inflammatory diseases. Its incorporation into these molecules can enhance their efficacy and selectivity, contributing to the development of more effective treatments for these conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 158851-30-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,8,8,5 and 1 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 158851-30:
(8*1)+(7*5)+(6*8)+(5*8)+(4*5)+(3*1)+(2*3)+(1*0)=160
160 % 10 = 0
So 158851-30-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1

158851-30-0 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Alfa Aesar

  • (H52066)  (S)-3-(Boc-amino)butyric acid, 95%   

  • 158851-30-0

  • 250mg

  • 882.0CNY

  • Detail
  • Alfa Aesar

  • (H52066)  (S)-3-(Boc-amino)butyric acid, 95%   

  • 158851-30-0

  • 1g

  • 2822.0CNY

  • Detail
  • Aldrich

  • (14974)  Boc-β-Homoala-OH  ≥98.0% (TLC)

  • 158851-30-0

  • 14974-1G

  • 3,408.21CNY

  • Detail

158851-30-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name Boc-L-β-homoalanine

1.2 Other means of identification

Product number -
Other names BOC-L-beta-Homoalanine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:158851-30-0 SDS

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