Cas no 60561-39-9 (Carbamic acid,(4-chlorophenyl)methyl-, methyl ester (9CI))

Carbamic acid,(4-chlorophenyl)methyl-, methyl ester (9CI) structure
60561-39-9 structure
Product Name:Carbamic acid,(4-chlorophenyl)methyl-, methyl ester (9CI)
CAS No:60561-39-9
MF:C9H10ClNO2
MW:199.634201526642
CID:520838
PubChem ID:3017188
Update Time:2025-04-19

Carbamic acid,(4-chlorophenyl)methyl-, methyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,(4-chlorophenyl)methyl-, methyl ester (9CI)
    • Carbamic acid, (4-chlorophenyl)methyl-, methyl ester
    • methyl N-(4-chlorophenyl)-N-methylcarbamate
    • Inchi: 1S/C9H10ClNO2/c1-11(9(12)13-2)8-5-3-7(10)4-6-8/h3-6H,1-2H3
    • InChI Key: JEIIZSXVMZQRSN-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)N(C(=O)OC)C

Computed Properties

  • Exact Mass: 199.0401
  • Monoisotopic Mass: 199.0400063g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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: 2.3
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 38.33

Carbamic acid,(4-chlorophenyl)methyl-, methyl ester (9CI) Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: N-Methyl-2-pyrrolidone ;  12 min, 250 °C
Reference
Selective N-monomethylation of primary anilines with dimethyl carbonate in continuous flow
Seo, Hyowon; Bedard, Anne-Catherine; Chen, Willie P.; Hicklin, Robert W.; Alabugin, Alexander; et al, Tetrahedron, 2018, 74(25), 3124-3128

Carbamic acid,(4-chlorophenyl)methyl-, methyl ester (9CI) Preparation Products

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