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(S)-2-(benzyloxycarbonylamino)-3-hydroxy-2-methylpropanoic acid is a complex chemical compound derived from the amino acid serine, featuring a benzyloxycarbonyl-protected amino group and a hydroxy group attached to a methyl group. This structural modification of serine provides the compound with unique properties that may be harnessed in various applications, particularly in the fields of medicinal chemistry and drug development.

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  • 114396-70-2 Structure
  • Basic information

    1. Product Name: (S)-2-(benzyloxycarbonylamino)-3-hydroxy-2-methylpropanoic acid
    2. Synonyms: (S)-2-(benzyloxycarbonylamino)-3-hydroxy-2-methylpropanoic acid
    3. CAS NO:114396-70-2
    4. Molecular Formula: C12H15NO5
    5. Molecular Weight: 253.2512
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 114396-70-2.mol
  • Chemical Properties

    1. Melting Point: 123-126 °C
    2. Boiling Point: 483.7±45.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.313±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 3.70±0.11(Predicted)
    10. CAS DataBase Reference: (S)-2-(benzyloxycarbonylamino)-3-hydroxy-2-methylpropanoic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: (S)-2-(benzyloxycarbonylamino)-3-hydroxy-2-methylpropanoic acid(114396-70-2)
    12. EPA Substance Registry System: (S)-2-(benzyloxycarbonylamino)-3-hydroxy-2-methylpropanoic acid(114396-70-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 114396-70-2(Hazardous Substances Data)

114396-70-2 Usage

Uses

Used in Medicinal Chemistry:
(S)-2-(benzyloxycarbonylamino)-3-hydroxy-2-methylpropanoic acid is used as a building block for the synthesis of novel compounds in medicinal chemistry. The benzyloxycarbonyl group protects the amino group, allowing for selective reactions and modifications that can lead to the development of new pharmaceuticals with improved biological properties.
Used in Drug Development:
In the pharmaceutical industry, (S)-2-(benzyloxycarbonylamino)-3-hydroxy-2-methylpropanoic acid is used as a precursor for the creation of innovative drug candidates. (S)-2-(benzyloxycarbonylamino)-3-hydroxy-2-methylpropanoic acid's unique structure and functional groups can be exploited to design drugs with enhanced efficacy, selectivity, and reduced side effects.
Further research and testing are required to fully explore the potential uses and properties of (S)-2-(benzyloxycarbonylamino)-3-hydroxy-2-methylpropanoic acid, as its complex structure and protective groups may offer new opportunities in the development of therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 114396-70-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,3,9 and 6 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 114396-70:
(8*1)+(7*1)+(6*4)+(5*3)+(4*9)+(3*6)+(2*7)+(1*0)=122
122 % 10 = 2
So 114396-70-2 is a valid CAS Registry Number.

114396-70-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (S)-N-Cbz-α-MeSer(OH)-OH

1.2 Other means of identification

Product number -
Other names N-carbobenzoxy-DL-α-methylserine

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:114396-70-2 SDS

114396-70-2Relevant articles and documents

Total synthesis and structure elucidation of JBIR-39: A linear hexapeptide possessing piperazic acid and γ-hydroxypiperazic acid residues

Yoshida, Masahito,Sekioka, Naoki,Izumikawa, Miho,Kozone, Ikuko,Takagi, Motoki,Shin-ya, Kazuo,Doi, Takayuki

supporting information, p. 3031 - 3041 (2015/02/05)

The total synthesis and stereochemical structural elucidation of JBIR-39, containing four nonproteinogenic piperazic acid (Piz) residues, is reported. The synthesis includes Sc(OTf)3-catalyzed acylation of a Piz(γ-OTBS) derivative with piperazi

Highly efficient and selective phosphorylation of amino acid derivatives and polyols catalysed by 2-aryl-4-(dimethylamino)pyridine-N-oxides-towards kinase-like reactivity

Murray, James I.,Woscholski, Rudiger,Spivey, Alan C.

supporting information, p. 13608 - 13611 (2015/01/09)

The chemoselective phosphorylation of hydroxyl containing amino acid derivatives and polyols by phosphoryl chlorides catalyzed by 2-aryl-4-(dimethylamino)pyridine-N-oxides is described.

ORALLY AVAILABLE SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS AND ANTAGONISTS

-

Page/Page column 138-140, (2008/06/13)

The present invention relates to S1P analogs that have activity as S1Preceptor modulating agents and the use of such compounds to treat diseases associated with inappropriate S1P receptor activity. The compounds have the general structure (I) wherein R11 is C5-C18 alkyl or C5-C18 alkenyl; Q is selected from the group consisting of C3-C6 optionally substituted cycloalkyl, C3-C6 optionally substituted heterocyclic, C3-C6 optionally substituted aryl C3-C6 optionally substituted heteroaryl and; R2 is selected from the group consisting of H, C1-C4 alkyl, (C1-C4 alkyl)OH and (C1-C4 alkyl)NH2; R23 is H or C1-C4 alkyl, and R15 is a phosphonate ester or a phosphate ester or a pharmaceutically acceptable salt or tautomer thereof.

Chemoenzymatic total synthesis of (+)-conagenin, a low-molecular-weight immunomodulator

Sano, Shigeki,Miwa, Toshio,Hayashi, Kazuhiko,Nozaki, Kazuo,Ozaki, Yohei,Nagao, Yoshimitsu

, p. 4029 - 4031 (2007/10/03)

Total synthesis of (+)-conagenin, a low-molecular-weight immunomodulator, was achieved based on enantioselective enzymatic reactions followed by chemoselective reductions.

New enantiodivergent procedure for the syntheses of chiral α- substituted serines from α-alkyl-α-aminomalonates utilizing enzymatic hydrolysis

Sano, Shigeki,Hayashi, Kazuhiko,Miwa, Toshio,Ishii, Takahiro,Fujii, Michiho,Mima, Hiromi,Nagao, Yoshimitsu

, p. 5571 - 5574 (2007/10/03)

Porcine liver esterase (PLE)- or rabbit liver esterase (RLE)-catalyzed hydrolysis of the pro-S ester group of diethyl α-alkyl-α- (benzyloxycarbonylamino)malonates 2a-c afforded (R)-ethyl α-alkyl-α- (benzyloxycarbonylamino)malonates 3a-c each in excellent enantiomeric excess. Enantiodivergent reductions of these acid esters 3a-c readily furnished both the corresponding enantiomeric α-substituted serines (R)- and (S)-5a-c.

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