Cas no 84677-05-4 (methyl 1-(benzyloxycarbonylamino)cyclopropanecarboxylate)

methyl 1-(benzyloxycarbonylamino)cyclopropanecarboxylate structure
84677-05-4 structure
Product Name:methyl 1-(benzyloxycarbonylamino)cyclopropanecarboxylate
CAS No:84677-05-4
MF:C13H15NO4
MW:249.262503862381
MDL:MFCD22056448
CID:2190230
PubChem ID:13736078
Update Time:2024-10-26

methyl 1-(benzyloxycarbonylamino)cyclopropanecarboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid methyl ester
    • methyl 1-benzyloxycarbonylaminocyclopropanecarboxylate
    • methyl 1-(benzyloxycarbonylamino)cyclopropanecarboxylate
    • Methyl 1-[[(phenylmethoxy)carbonyl]amino]cyclopropanecarboxylate (ACI)
    • AKOS030231485
    • SB40733
    • Methyl1-(((benzyloxy)carbonyl)amino)cyclopropanecarboxylate
    • DA-30050
    • CS-0049258
    • 84677-05-4
    • FQNOQUWDRWTZDJ-UHFFFAOYSA-N
    • EN300-91310
    • methyl 1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate
    • MFCD22056448
    • AS-53234
    • Cyclopropanecarboxylic acid, 1-[[(phenylMethoxy)carbonyl]aMino]-, Methyl ester
    • SY099298
    • P16229
    • Methyl 1-{[(benzyloxy)carbonyl]aminocyclopropane-1-carboxylate
    • SCHEMBL1189554
    • methyl 1-{[(benzyloxy)carbonyl]amino}cyclopropane-1-carboxylate
    • Methyl 1-(((benzyloxy)carbonyl)amino)cyclopropanecarboxylate
    • Methyl 1-(Cbz-amino)cyclopropanecarboxylate
    • Methyl 1-([(benzyloxy)carbonyl]amino)cyclopropane-1-carboxylate
    • methyl 1-({[(phenylmethyl)oxy]carbonyl}amino)cyclopropanecarboxylate
    • MDL: MFCD22056448
    • Inchi: 1S/C13H15NO4/c1-17-11(15)13(7-8-13)14-12(16)18-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16)
    • InChI Key: FQNOQUWDRWTZDJ-UHFFFAOYSA-N
    • SMILES: O=C(NC1(CC1)C(OC)=O)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 249.10000
  • Monoisotopic Mass: 249.10010796g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 319
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 64.6?2

Experimental Properties

  • PSA: 64.63000
  • LogP: 2.00930

methyl 1-(benzyloxycarbonylamino)cyclopropanecarboxylate Security Information

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abcr
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methyl 1-(benzyloxycarbonylamino)cyclopropanecarboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Methanol ;  rt
Reference
The Synthesis of α,α-Disubstituted α-Amino Acids via Ichikawa Rearrangement
Szczesniak, Piotr; Pieczykolan, Michal; Stecko, Sebastian, Journal of Organic Chemistry, 2016, 81(3), 1057-1074

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran
Reference
A simple synthesis of 1-aminocyclopropane-1-carboxylic acid
Strazewski, Peter; Tamm, Christoph, Synthesis, 1987, (3), 298-9

Production Method 3

Reaction Conditions
1.1 Reagents: Benzyl bromide ,  Sodium bis(trimethylsilyl)amide Solvents: Tetrahydrofuran ;  16 h, 0 °C → 22 °C
Reference
Synthesis and evaluation of C8-substituted 4.5-spiro lactams as Glycogen Phosphorylase a inhibitors
Loughlin, Wendy A.; Schweiker, Stephanie S.; Jenkins, Ian D.; Henderson, Luke C., Tetrahedron, 2013, 69(5), 1576-1582

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran
Reference
Facile new method for preparation of optically active protected proline
Yamaguchi, Jun-ichi; Ueki, Masaaki, Chemistry Letters, 1996, (8), 621-622

methyl 1-(benzyloxycarbonylamino)cyclopropanecarboxylate Raw materials

methyl 1-(benzyloxycarbonylamino)cyclopropanecarboxylate Preparation Products

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