Cas no 681260-04-8 ((1R,2S)-1-Amino-2-ethenylcyclopropanecarboxylic acid methyl ester)

(1R,2S)-1-Amino-2-ethenylcyclopropanecarboxylic acid methyl ester structure
681260-04-8 structure
Product Name:(1R,2S)-1-Amino-2-ethenylcyclopropanecarboxylic acid methyl ester
CAS No:681260-04-8
MF:C7H11NO2
MW:141.167742013931
CID:68620
PubChem ID:11355820
Update Time:2025-04-18

(1R,2S)-1-Amino-2-ethenylcyclopropanecarboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • (1R,2S)-1-Amino-2-ethenylcyclopropanecarboxylic acid methyl ester
    • Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, methyl ester, (1R,2S)-
    • Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, methyl ester, (1R,2S)- (9CI)
    • methyl (1R,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate
    • (1R,2S)-1-amino-2-cyclopropyl methyl vinyl
    • (1R,2S)-1-amino-2-vinyl-cyclopropyl carboxylic acid methyl e
    • (2R,3S)-3-vinyl-2-aminocyclopropylcarboxylic acid methyl ester
    • CYC035
    • Cyclopropanecarboxylic acid,1-amino-2-ethenyl-,methyl ester,(1R,2S)-,4-methylbenzenesulfonate
    • S14-2297
    • vinyl-ACCA methyl ester
    • AKOS006351636
    • Cyclopropanecarboxylic acid,1-amino-2-ethenyl-,methyl ester,(1R,2S)-
    • SCHEMBL1952619
    • (1R,2S)-methyl 1-amino-2-vinylcyclopropanecarboxylate
    • HEPZUSCSZCGDFO-IYSWYEEDSA-N
    • (1R,2S)-1-amino-2-vinyl-cyclopropylcarboxylicacidmethylester
    • 681260-04-8
    • DTXSID30463301
    • Inchi： 1S/C7H11NO2/c1-3-5-4-7(5,8)6(9)10-2/h3,5H,1,4,8H2,2H3/t5-,7-/m1/s1
    • InChI Key： HEPZUSCSZCGDFO-IYSWYEEDSA-N
    • SMILES： O(C)C([C@]1(C[C@H]1C=C)N)=O

Computed Properties

  • Exact Mass: 141.07900
  • Monoisotopic Mass: 141.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 178
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Density: 1.199
  • Boiling Point: 168 oC
  • Flash Point: 41 oC
  • PSA: 52.32000
  • LogP: 0.76310

(1R,2S)-1-Amino-2-ethenylcyclopropanecarboxylic acid methyl ester Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Methanol ;  20 min, rt; 4 h, 40 °C; overnight, rt
Reference
Synthesis of (1R,2S)-1-Amino-2-vinylcyclopropanecarboxylic Acid Vinyl-ACCA) Derivatives: Key Intermediates for the Preparation of Inhibitors of the Hepatitis C Virus NS3 Protease
Beaulieu, Pierre L.; et al, Journal of Organic Chemistry, 2005, 70(15), 5869-5879

Production Method 2

Reaction Conditions
1.1 Solvents: Methanol ;  0.25 h, 25 - 35 °C; 2 h, 50 °C
1.2 Reagents: Acetic acid Solvents: Methanol ;  pH 7.3, 5 °C
2.1 Solvents: Methanol ;  20 min, rt; 4 h, 40 °C; overnight, rt
Reference
Synthesis of (1R,2S)-1-Amino-2-vinylcyclopropanecarboxylic Acid Vinyl-ACCA) Derivatives: Key Intermediates for the Preparation of Inhibitors of the Hepatitis C Virus NS3 Protease
Beaulieu, Pierre L.; et al, Journal of Organic Chemistry, 2005, 70(15), 5869-5879

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Potassium chloride Catalysts: Subtilisin Solvents: Acetone ,  Water ;  91 h, pH 8.1 - 8.3, 35 - 37 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  75 h, pH 2 - 3, rt
2.1 Solvents: Methanol ;  0.25 h, 25 - 35 °C; 2 h, 50 °C
2.2 Reagents: Acetic acid Solvents: Methanol ;  pH 7.3, 5 °C
3.1 Solvents: Methanol ;  20 min, rt; 4 h, 40 °C; overnight, rt
Reference
Synthesis of (1R,2S)-1-Amino-2-vinylcyclopropanecarboxylic Acid Vinyl-ACCA) Derivatives: Key Intermediates for the Preparation of Inhibitors of the Hepatitis C Virus NS3 Protease
Beaulieu, Pierre L.; et al, Journal of Organic Chemistry, 2005, 70(15), 5869-5879

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Tetrahydrofuran ,  Water ;  0.75 h, 24 °C; 22 h, 20 °C
2.1 Solvents: Methanol ;  0.25 h, 25 - 35 °C; 2 h, 50 °C
2.2 Reagents: Acetic acid Solvents: Methanol ;  pH 7.3, 5 °C
3.1 Solvents: Methanol ;  20 min, rt; 4 h, 40 °C; overnight, rt
Reference
Synthesis of (1R,2S)-1-Amino-2-vinylcyclopropanecarboxylic Acid Vinyl-ACCA) Derivatives: Key Intermediates for the Preparation of Inhibitors of the Hepatitis C Virus NS3 Protease
Beaulieu, Pierre L.; et al, Journal of Organic Chemistry, 2005, 70(15), 5869-5879

Production Method 5

Reaction Conditions
1.1 Solvents: Ethanol ;  2 h, 60 °C; 6 h, 60 °C → 25 °C; 18 h, rt
2.1 Reagents: Sodium hydroxide Solvents: Tetrahydrofuran ,  Water ;  0.75 h, 24 °C; 22 h, 20 °C
3.1 Solvents: Methanol ;  0.25 h, 25 - 35 °C; 2 h, 50 °C
3.2 Reagents: Acetic acid Solvents: Methanol ;  pH 7.3, 5 °C
4.1 Solvents: Methanol ;  20 min, rt; 4 h, 40 °C; overnight, rt
Reference
Synthesis of (1R,2S)-1-Amino-2-vinylcyclopropanecarboxylic Acid Vinyl-ACCA) Derivatives: Key Intermediates for the Preparation of Inhibitors of the Hepatitis C Virus NS3 Protease
Beaulieu, Pierre L.; et al, Journal of Organic Chemistry, 2005, 70(15), 5869-5879

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Potassium chloride Catalysts: Subtilisin Solvents: Acetone ,  Water ;  91 h, pH 8.1 - 8.3, 35 - 37 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  75 h, pH 2 - 3, rt
2.1 Solvents: Methanol ;  20 min, rt; 4 h, 40 °C; overnight, rt
Reference
Synthesis of (1R,2S)-1-Amino-2-vinylcyclopropanecarboxylic Acid Vinyl-ACCA) Derivatives: Key Intermediates for the Preparation of Inhibitors of the Hepatitis C Virus NS3 Protease
Beaulieu, Pierre L.; et al, Journal of Organic Chemistry, 2005, 70(15), 5869-5879

Production Method 7

Reaction Conditions
1.1 Solvents: Methanol ;  50 °C
2.1 Reagents: Sodium hydroxide ,  Potassium chloride Catalysts: Subtilisin Solvents: Acetone ,  Water ;  91 h, pH 8.1 - 8.3, 35 - 37 °C
2.2 Reagents: Hydrochloric acid Solvents: Water ;  75 h, pH 2 - 3, rt
3.1 Solvents: Methanol ;  20 min, rt; 4 h, 40 °C; overnight, rt
Reference
Synthesis of (1R,2S)-1-Amino-2-vinylcyclopropanecarboxylic Acid Vinyl-ACCA) Derivatives: Key Intermediates for the Preparation of Inhibitors of the Hepatitis C Virus NS3 Protease
Beaulieu, Pierre L.; et al, Journal of Organic Chemistry, 2005, 70(15), 5869-5879

Production Method 8

Reaction Conditions
1.1 Reagents: Lithium tert-butoxide Solvents: Toluene
1.2 Reagents: Hydrochloric acid Solvents: Water ;  2 h, rt
1.3 Reagents: Sodium hydroxide Solvents: tert-Butyl methyl ether ,  Water ;  pH 12 - 13
1.4 overnight, rt; 2 h, 60 °C
2.1 Reagents: Sodium hydroxide ,  Potassium chloride Catalysts: Subtilisin Solvents: Acetone ,  Water ;  91 h, pH 8.1 - 8.3, 35 - 37 °C
2.2 Reagents: Hydrochloric acid Solvents: Water ;  75 h, pH 2 - 3, rt
3.1 Solvents: Methanol ;  20 min, rt; 4 h, 40 °C; overnight, rt
Reference
Synthesis of (1R,2S)-1-Amino-2-vinylcyclopropanecarboxylic Acid Vinyl-ACCA) Derivatives: Key Intermediates for the Preparation of Inhibitors of the Hepatitis C Virus NS3 Protease
Beaulieu, Pierre L.; et al, Journal of Organic Chemistry, 2005, 70(15), 5869-5879

Production Method 9

Reaction Conditions
1.1 Reagents: Lithium tert-butoxide Solvents: Toluene
1.2 Reagents: Hydrochloric acid Solvents: Water ;  2 h, rt
1.3 Reagents: Sodium hydroxide Solvents: tert-Butyl methyl ether ,  Water ;  pH 12 - 13
1.4 overnight, rt; 2 h, 60 °C
2.1 Reagents: Sodium hydroxide ,  Potassium chloride Catalysts: Subtilisin Solvents: Acetone ,  Water ;  91 h, pH 8.1 - 8.3, 35 - 37 °C
2.2 Reagents: Hydrochloric acid Solvents: Water ;  75 h, pH 2 - 3, rt
3.1 Solvents: Methanol ;  0.25 h, 25 - 35 °C; 2 h, 50 °C
3.2 Reagents: Acetic acid Solvents: Methanol ;  pH 7.3, 5 °C
4.1 Solvents: Methanol ;  20 min, rt; 4 h, 40 °C; overnight, rt
Reference
Synthesis of (1R,2S)-1-Amino-2-vinylcyclopropanecarboxylic Acid Vinyl-ACCA) Derivatives: Key Intermediates for the Preparation of Inhibitors of the Hepatitis C Virus NS3 Protease
Beaulieu, Pierre L.; et al, Journal of Organic Chemistry, 2005, 70(15), 5869-5879

Production Method 10

Reaction Conditions
1.1 Reagents: Triethylamine ,  Sodium sulfate Solvents: tert-Butyl methyl ether ;  0.17 h, 5 °C; 24 h, rt
2.1 Reagents: Lithium tert-butoxide Solvents: Toluene
2.2 Reagents: Hydrochloric acid Solvents: Water ;  2 h, rt
2.3 Reagents: Sodium hydroxide Solvents: tert-Butyl methyl ether ,  Water ;  pH 12 - 13
2.4 overnight, rt; 2 h, 60 °C
3.1 Reagents: Sodium hydroxide ,  Potassium chloride Catalysts: Subtilisin Solvents: Acetone ,  Water ;  91 h, pH 8.1 - 8.3, 35 - 37 °C
3.2 Reagents: Hydrochloric acid Solvents: Water ;  75 h, pH 2 - 3, rt
4.1 Solvents: Methanol ;  0.25 h, 25 - 35 °C; 2 h, 50 °C
4.2 Reagents: Acetic acid Solvents: Methanol ;  pH 7.3, 5 °C
5.1 Solvents: Methanol ;  20 min, rt; 4 h, 40 °C; overnight, rt
Reference
Synthesis of (1R,2S)-1-Amino-2-vinylcyclopropanecarboxylic Acid Vinyl-ACCA) Derivatives: Key Intermediates for the Preparation of Inhibitors of the Hepatitis C Virus NS3 Protease
Beaulieu, Pierre L.; et al, Journal of Organic Chemistry, 2005, 70(15), 5869-5879

Production Method 11

Reaction Conditions
1.1 Reagents: Lithium tert-butoxide Solvents: Toluene
1.2 Reagents: Hydrochloric acid Solvents: Water ;  2 h, rt
1.3 Reagents: Sodium hydroxide Solvents: Water
2.1 Solvents: Ethanol ;  2 h, 60 °C; 6 h, 60 °C → 25 °C; 18 h, rt
3.1 Reagents: Sodium hydroxide Solvents: Tetrahydrofuran ,  Water ;  0.75 h, 24 °C; 22 h, 20 °C
4.1 Solvents: Methanol ;  0.25 h, 25 - 35 °C; 2 h, 50 °C
4.2 Reagents: Acetic acid Solvents: Methanol ;  pH 7.3, 5 °C
5.1 Solvents: Methanol ;  20 min, rt; 4 h, 40 °C; overnight, rt
Reference
Synthesis of (1R,2S)-1-Amino-2-vinylcyclopropanecarboxylic Acid Vinyl-ACCA) Derivatives: Key Intermediates for the Preparation of Inhibitors of the Hepatitis C Virus NS3 Protease
Beaulieu, Pierre L.; et al, Journal of Organic Chemistry, 2005, 70(15), 5869-5879

(1R,2S)-1-Amino-2-ethenylcyclopropanecarboxylic acid methyl ester Raw materials

(1R,2S)-1-Amino-2-ethenylcyclopropanecarboxylic acid methyl ester Preparation Products

(1R,2S)-1-Amino-2-ethenylcyclopropanecarboxylic acid methyl ester Related Literature

681260-04-8 ((1R,2S)-1-Amino-2-ethenylcyclopropanecarboxylic acid methyl ester) Related Products

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