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Chemical Structure| 129139-48-6 Chemical Structure| 129139-48-6

Structure of 129139-48-6

Chemical Structure| 129139-48-6

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Product Details of [ 129139-48-6 ]

CAS No. :129139-48-6
Formula : C8H12N2O
M.W : 152.19
SMILES Code : NC1=CC=C(OC)C=C1NC
MDL No. :MFCD16658449
InChI Key :XCLCHGDNINANNQ-UHFFFAOYSA-N
Pubchem ID :12198276

Safety of [ 129139-48-6 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H331-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 129139-48-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 129139-48-6 ]

[ 129139-48-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 129139-48-6 ]
  • [ 503-38-8 ]
  • [ 4583-86-2 ]
YieldReaction ConditionsOperation in experiment
45% With triethylamine; In dichloromethane; at 20.0℃; c) 5-methoxy-1-methyl-1,3-dihydro-benzimidazol-2-one: 8.0 g (52.56 mmol) 4-methoxy-N2-methyl-benzene-1,2-diamine and 8.7 mL (63.00 mmol) triethylamine are dissolved in 100 mL dichloromethane and added dropwise to 7 mL (58.00 mmol) trichloromethylchloroformate in 50 mL dichloromethane. The reaction mixture is stirred overnight at ambient temperature, then poured into ice water and extracted with dichloromethane. The combined organic phases are washed with water, dried and evaporated down. The product remaining is stirred with diethyl ether. Yield: 4.2 g (45%); mass spectroscopy: [M+H]+=179.
45% With triethylamine; In dichloromethane; at 20.0℃; 8.0 g (52.56 mmol) 4-methoxy-N-2-methyl-benzene-1,2-diamine and 8.7 mL (63.00 mmol) triethylamine are dissolved in 100 mL dichloromethane and added dropwise to 7 mL (58.00 mmol) trichloromethylchloroformate in 50 mL dichloromethane. The reaction mixture is stirred overnight at ambient temperature, then poured into ice water and extracted with dichloromethane. The combined organic phases are washed with water, dried and evaporated down. The remaining solid is stirred with diethyl ether. Yield: 4.2 g (45%); mass spectroscopy: [M+H]+=179.
45% With triethylamine; In dichloromethane; at 20.0℃; c) 5-methoxy-1-methyl-1,3-dihydro-benzimidazol-2-one 8.0 g (52.56 mmol) 4-methoxy-N-2-methyl-benzene-1,2-diamine and 8.7 mL (63.00 mmol) triethylamine are dissolved in 100 mL dichloromethane and added dropwise to 7 mL (58.00 mmol) trichloromethyl chloroformate in 50 mL dichloromethane. The reaction mixture is stirred overnight at ambient temperature, the poured into ice water and extracted with dichloromethane. The combined organic phases are washed with water, dried and evaporated down. The solid that remains is stirred with diethyl ether. Yield: 4.2 g (45%); mass spectroscopy: [M+H]+=179.
 

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