Cas no 861069-45-6 (2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile)

2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile structure
861069-45-6 structure
Product Name:2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile
CAS No:861069-45-6
MF:C12H15NO2
MW:205.253003358841
MDL:MFCD18072909
CID:820582
PubChem ID:44817552
Update Time:2024-10-26

2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile
    • 2-(3-methoxy-4-propan-2-yloxyphenyl)acetonitrile
    • 2-(4-ISOPROPOXY-3-METHOXYPHENYL)ACETONITRIL
    • 4-Isopropoxy-3-methoxyphenylacetonitrile
    • CM13722
    • AS06115
    • ST2403964
    • AX8226631
    • W8845
    • alpha,alpha-dimethyl-3,4-dimethoxyphenylacetonitrile
    • {3-Methoxy-4-[(propan-2-yl)oxy]phenyl}acetonitrile
    • 3-Methoxy-4-(1-methylethoxy)benzeneacetonitrile (ACI)
    • Acetonitrile, (4-isopropoxy-3-methoxyphenyl)- (5CI)
    • 2-[3-Methoxy-4-(propan-2-yloxy)phenyl]acetonitrile
    • CS-M2930
    • 861069-45-6
    • MFCD18072909
    • DTXSID90660718
    • DB-364079
    • 2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile;4-isopropoxy-3-methoxyphenylacetonitrile;
    • AKOS015998780
    • DS-18232
    • MDL： MFCD18072909
    • Inchi： 1S/C12H15NO2/c1-9(2)15-11-5-4-10(6-7-13)8-12(11)14-3/h4-5,8-9H,6H2,1-3H3
    • InChI Key： QNDYSZLZQUROSI-UHFFFAOYSA-N
    • SMILES： N#CCC1C=C(OC)C(OC(C)C)=CC=1

Computed Properties

  • Exact Mass: 205.110278721g/mol
  • Monoisotopic Mass: 205.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 231
  • 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: 1.9
  • Topological Polar Surface Area: 42.2

2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile Pricemore >>

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2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Acetonitrile ;  reflux
Reference
Design and total synthesis of Mannich derivatives of marine natural product lamellarin D as cytotoxic agents
Shen, Li; et al, European Journal of Medicinal Chemistry, 2014, 85, 807-817

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium borohydride Solvents: Methanol ;  20 °C
2.1 Reagents: Thionyl chloride Solvents: Dichloromethane ;  0 °C
3.1 Solvents: Acetonitrile ;  reflux
Reference
Design and total synthesis of Mannich derivatives of marine natural product lamellarin D as cytotoxic agents
Shen, Li; et al, European Journal of Medicinal Chemistry, 2014, 85, 807-817

Production Method 3

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Dichloromethane ;  0 °C
2.1 Solvents: Acetonitrile ;  reflux
Reference
Design and total synthesis of Mannich derivatives of marine natural product lamellarin D as cytotoxic agents
Shen, Li; et al, European Journal of Medicinal Chemistry, 2014, 85, 807-817

Production Method 4

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  20 °C
2.1 Reagents: Potassium borohydride Solvents: Methanol ;  20 °C
3.1 Reagents: Thionyl chloride Solvents: Dichloromethane ;  0 °C
4.1 Solvents: Acetonitrile ;  reflux
Reference
Design and total synthesis of Mannich derivatives of marine natural product lamellarin D as cytotoxic agents
Shen, Li; et al, European Journal of Medicinal Chemistry, 2014, 85, 807-817

2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile Raw materials

2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile Preparation Products

2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile Related Literature

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861069-45-6 (2-(4-Isopropoxy-3-methoxyphenyl)acetonitrile) Related Products

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