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Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel(9CI) is a chemical compound with a molecular formula C7H11NO2. It is a derivative of cyclopropanecarboxylic acid and is classified as an ethyl ester. Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel(9CI) contains an amino group and an ethenyl group, and its stereochemistry is designated as (1R,2S)-rel-. It is commonly used in chemical synthesis and research as a reagent and intermediate.

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  • Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel- (9CI)

    Cas No: 213316-32-6

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  • Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel- (9CI)

    Cas No: 213316-32-6

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  • 213316-32-6 Structure
  • Basic information

    1. Product Name: Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel- (9CI)
    2. Synonyms: Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel- (9CI);Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel-;NBJXCTLFPNBZSG-HTRCEHHLSA-N
    3. CAS NO:213316-32-6
    4. Molecular Formula: C8H13NO2
    5. Molecular Weight: 155.196
    6. EINECS: N/A
    7. Product Categories: CARBOXYLICESTER;GLYCINESCAFFOLD
    8. Mol File: 213316-32-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 189.675°C at 760 mmHg
    3. Flash Point: 61.357°C
    4. Appearance: /
    5. Density: 1.156g/cm3
    6. Vapor Pressure: 0.563mmHg at 25°C
    7. Refractive Index: 1.564
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 6.27±0.40(Predicted)
    11. CAS DataBase Reference: Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel- (9CI)(CAS DataBase Reference)
    12. NIST Chemistry Reference: Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel- (9CI)(213316-32-6)
    13. EPA Substance Registry System: Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel- (9CI)(213316-32-6)
  • 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: 213316-32-6(Hazardous Substances Data)

213316-32-6 Usage

Uses

Used in Chemical Synthesis:
Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel(9CI) is used as a reagent in chemical synthesis for the preparation of various organic compounds. Its unique structure and functional groups enable it to participate in a wide range of chemical reactions, making it a versatile building block in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Research:
Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel(9CI) is also used as an intermediate in research for studying the properties and reactivity of cyclopropanecarboxylic acid derivatives. Its specific stereochemistry and the presence of an amino and ethenyl group allow researchers to explore its potential applications in asymmetric synthesis, catalysis, and the development of novel chemical reactions.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel(9CI) may be used as a key intermediate in the synthesis of drug candidates with potential therapeutic applications. Its unique structural features and reactivity can be exploited to design and develop new drugs with improved pharmacological properties.
Used in Agrochemical Industry:
In the agrochemical industry, this compound may be utilized as a precursor for the synthesis of agrochemicals, such as pesticides and herbicides. Its ability to participate in various chemical reactions can contribute to the development of new and more effective agrochemicals with targeted modes of action.
The specific applications and uses of Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel(9CI) in different industries may vary depending on the particular requirements of the chemical reactions and processes involved. Its unique structural features and reactivity make it a valuable compound for exploration and development in various fields of chemistry and related industries.

Check Digit Verification of cas no

The CAS Registry Mumber 213316-32-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,3,3,1 and 6 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 213316-32:
(8*2)+(7*1)+(6*3)+(5*3)+(4*1)+(3*6)+(2*3)+(1*2)=86
86 % 10 = 6
So 213316-32-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H13NO2/c1-3-6-5-8(6,9)7(10)11-4-2/h3,6H,1,4-5,9H2,2H3/t6-,8-/m1/s1

213316-32-6SDS

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 Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, ethyl ester, (1R,2S)-rel-

1.2 Other means of identification

Product number -
Other names -

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:213316-32-6 SDS

213316-32-6Downstream Products

213316-32-6Relevant articles and documents

CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF

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, (2017/09/27)

The present technology relates to compounds, kits, compositions, and methods useful for the treatment of fibrotic disease. In some aspects, the present technology provides for treatment of various diseases or disorders associated or mediated, at least in part, by calpains, such as CAPN1, CAPN2, and/or CAPN9. The present technology is generally applicable to compounds which inhibit myofibroblast differentiation.

Synthesis method of (1R, 2S)-1-amino-2-vinyl ethyl cyclopropane dicarboxylate

-

Paragraph 0018; 0019; 0020; 0021, (2016/10/09)

The invention belongs to the technical field of preparation of anti hepatitis C virus drug intermediates and particularly relates to a synthesis method of (1R, 2S)-1-amino-2-vinyl ethyl cyclopropane dicarboxylate. The synthesis method comprises the specific steps that step one, benzaldehyde, glycine ethyl ester hydrochloride, toluene and triethylamine are used as raw materials to be synthesized into a compound 4; step two, the compound 4 and trans-1,4-dibromo butene react in the toluene and sodium ethoxide to prepare a compound 3; step three, the compound 3 and (2S)-2-[(3,5-dichlorobenzoyl peroxide) oxy] propionic acid react in the toluene, and then isopropyl alcohol and hexane are added to obtain a compound 2; step four, the compound 2 reacts with sodium hydroxide in the toluene to obtain a compound (1R, 2S)-1-amino-2-vinyl ethyl cyclopropane dicarboxylate. The synthesis method is simple in operation and suitable for industrialized production, the raw materials are cheap and easy to obtain, and the obtained target product is high in purity and chiral purity.

Macrocyclic compounds for suppressing replication of hepatitis C virus

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Page/Page column 39; 40, (2016/05/24)

A compound as represented by Formula (I) is provided, wherein groups are defined in the description. The compound is used as HCV protease inhibitor for treating HCV infection.

Synthesis of bis-macrocyclic HCV protease inhibitor mk-6325 via intramolecular sp 2- sp 3 Suzuki-Miyaura coupling and ring closing metathesis

Li, Hongmei,Scott, Jeremy P.,Chen, Cheng-Yi,Journet, Michel,Belyk, Kevin,Balsells, Jaume,Kosjek, Birgit,Baxter, Carl A.,Stewart, Gavin W.,Wise, Christopher,Alam, Mahbub,Song, Zhiguo Jake,Tan, Lushi

supporting information, p. 1533 - 1536 (2015/03/30)

A practical asymmetric synthesis of the complex fused bis-macrocyclic HCV protease inhibitor MK-6325 (1) is described. Through the combination of a high yielding and low catalyst loading ring-closing metathesis (RCM) to forge the 15-membered macrocycle with an intramolecular sp2-sp3 Suzuki-Miyaura cross-coupling to append the 18-membered macrocycle, multikilogram access to the unique and challenging architecture of MK-6325 (1) has been achieved.

Dynamic kinetic resolution of dehydrocoronamic acid

Chaplin, David A.,Fox, Martin E.,Kroll, Sebastian H. B.

supporting information, p. 5858 - 5860 (2014/05/20)

Dehydrocoronamic acid can be racemised by dehydration of an N-acyl derivative to an azlactone, which undergoes facile racemisation. For the N-trifluoroacetyl derivative, the racemisation process was combined with an enzymatic resolution, to achieve a dynamic kinetic resolution process by which the racemate can be converted to either enantiomer. This journal is the Partner Organisations 2014.

METHOD FOR PRODUCING 1-AMINO-1-ALKOXYCARBONYL-2-VINYLCYCLOPROPANE

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Page/Page column 31, (2013/02/28)

It is an object of the present invention to provide a novel method for producing (1R,2S)/(1S,2R)-1-amino-1-alkoxycarbonyl-2-vinylcyclopropane which is useful as a synthetic intermediate of therapeutic agents for hepatitis C and a synthetic intermediate thereof. According to the present invention, when a trans-2-butene derivative having a leaving group at each of the 1- and 4-positions is reacted with a malonic ester in the presence of a base, a specific amount of an alkali metal alkoxide or an alkali metal hydride is used as the base, and further a specific amount of a malonic ester is used to produce a cyclopropane diester, and further, chiral or achiral 1-amino-1-alkoxy-carbonyl-2-vinylcyclopropane and a salt thereof are synthesized using the cyclopropane diester.

ENZYMES AND METHODS FOR RESOLVING AMINO VINYL CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES

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Page/Page column 13, (2011/02/24)

Preparation and isolation of amino vinyl cyclopropane carboxylic acid derivatives and salts thereof, methods of resolving enantiomers, and methods of identifying compositions and/or enzymes that are capable of resolving racemic or partially enantiomerically enriched mixtures.

HCV PROTEASE INHIBITORS

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Page/Page column 36; 44, (2010/04/03)

Novel compounds that are potent inhibitors of hepatitis C virus protease are provided. Pharmaceutical compositions containing one or more of these inhibitors, methods of preparing the inhibitors and methods of using the inhibitors to treat hepatitis C and related disorders also are provided.

Hepatitis C Virus Inhibitors

-

Page/Page column 23, (2009/12/02)

Hepatitis C virus inhibitors having the general formula are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION

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, (2009/04/24)

The invention provides compounds urea-containing peptide compounds of Formula I and the pharmaceutically salts and hydrates thereof. The variables T, R1-R9, J, L, M, Y, Z, m, n, and t are defined herein. Certain compounds of Formula

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