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(S)-Methyl 2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate is a versatile chemical compound with the molecular formula C13H27NO2. It is a derivative of butanoic acid, featuring a methyl ester group, an amino group, and two 3,3-dimethylbutyl groups. (S)-Methyl 2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate is known for its unique structure and properties, making it a valuable asset in the field of organic chemistry.

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  • 1052703-81-7 Structure
  • Basic information

    1. Product Name: (S)-Methyl 2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate
    2. Synonyms: (S)-Methyl 2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate;N-(3,3-Dimethylbutyl)-3-methyl-L-valine methyl ester;methyl (2S)-2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate;(S)-methyl 2-((3,3-dimethylbutyl)amino)-3,3-dimethylbutanoate(WXG02637)
    3. CAS NO:1052703-81-7
    4. Molecular Formula: C13H27NO2
    5. Molecular Weight: 229.35898
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1052703-81-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 274 ºC
    3. Flash Point: 120 ºC
    4. Appearance: /
    5. Density: 0.896
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: (S)-Methyl 2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate(CAS DataBase Reference)
    10. NIST Chemistry Reference: (S)-Methyl 2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate(1052703-81-7)
    11. EPA Substance Registry System: (S)-Methyl 2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate(1052703-81-7)
  • 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: 1052703-81-7(Hazardous Substances Data)

1052703-81-7 Usage

Uses

Used in Pharmaceutical Industry:
(S)-Methyl 2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate is used as a precursor in the synthesis of various drugs. Its unique structure and properties make it a valuable component in the development of new pharmaceuticals.
Used in Organic Synthesis:
(S)-Methyl 2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate is utilized in organic synthesis for its potential applications in creating new organic compounds. Its versatile structure allows for various chemical reactions, contributing to the advancement of organic chemistry.
Used as a Chiral Building Block:
In the production of enantiopure compounds, (S)-Methyl 2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate serves as a chiral building block. Its specific stereochemistry is crucial for the synthesis of optically active compounds, which are essential in various applications, including pharmaceuticals and agrochemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 1052703-81-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,5,2,7,0 and 3 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1052703-81:
(9*1)+(8*0)+(7*5)+(6*2)+(5*7)+(4*0)+(3*3)+(2*8)+(1*1)=117
117 % 10 = 7
So 1052703-81-7 is a valid CAS Registry Number.

1052703-81-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl (2S)-2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate

1.2 Other means of identification

Product number -
Other names VAL011

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:1052703-81-7 SDS

1052703-81-7Downstream Products

1052703-81-7Relevant articles and documents

Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase

Kim, Sun Hee,Tran, Martin T.,Ruebsam, Frank,Xiang, Alan X.,Ayida, Benjamin,McGuire, Helen,Ellis, David,Blazel, Julie,Tran, Chinh V.,Murphy, Douglas E.,Webber, Stephen E.,Zhou, Yuefen,Shah, Amit M.,Tsan, Mei,Showalter, Richard E.,Patel, Rupal,Gobbi, Alberto,LeBrun, Laurie A.,Bartkowski, Darian M.,Nolan, Thomas G.,Norris, Daniel A.,Sergeeva, Maria V.,Kirkovsky, Leo,Zhao, Qiang,Han, Qing,Kissinger, Charles R.

scheme or table, p. 4181 - 4185 (2009/04/16)

A novel series of HCV NS5B polymerase inhibitors comprising 1,1-dioxoisothiazoles and benzo[b]thiophene-1,1-dioxides were designed, synthesized, and evaluated. SAR studies guided by structure-based design led to the identification of a number of potent NS

A highly efficient, asymmetric synthesis of benzothiadiazine-substituted tetramic acids: Potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase

Fitch, Duke M.,Evans, Karen A.,Chai, Deping,Duffy, Kevin J.

, p. 5521 - 5524 (2007/10/03)

(Chemical Equation Presented) An efficient two-pot, asymmetric synthesis of benzothiadiazine-substituted tetramic acids is reported. Starting from commercially available α-amino acids or esters, reductive amination followed by a novel one-pot amide bond formation/Dieckmann cyclization provided the desired products in high yield and optical purity. An analogous solid-phase approach to the same targets is also presented. These compounds were found to be potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase.

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