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METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE

Product Name
METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE
CAS No.
65695-05-8
Chemical Name
METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE
Synonyms
Methyl 4-(N-hydroxycarbamimidoyl);Methyl 4-(N-hydroxycarbaMiMidoyl)benzoate;methyl 4-(N'-hydroxycarbamimidoyl)benzoate;Methyl 4-[amino(hydroxyimino)methyl]benzoate;Methyl 4-[(hydroxyamino)iminomethyl]benzoate;(E)-Methyl 4-(N'-hydroxycarbaMiMidoyl)benzoate;methyl 4-[(Z)-N'-hydroxycarbamimidoyl]benzoate;METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE;METHYL 4-[AMINO(HYDROXYIMINO)METHYL]BENZENECARBOXYLATE;4-[(HYDROXYAMINO)IMINOMETHYL]-BENZOIC ACID, METHYL ESTER
CBNumber
CB7715095
Molecular Formula
C9H10N2O3
Formula Weight
194.19
MOL File
65695-05-8.mol
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METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE Property

Melting point:
172-174
Boiling point:
327.2±44.0 °C(Predicted)
Density 
1.28±0.1 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
pka
13.88±0.50(Predicted)
form 
solid
color 
White
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Safety

Hazard Codes 
Xi,T
Risk Statements 
25
Safety Statements 
45
HazardClass 
IRRITANT
HS Code 
2921490090
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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC
Product number
M321340
Product name
Methyl4-(N-Hydroxycarbamimidoyl)benzoate
Packaging
25mg
Price
$45
Updated
2021/12/16
Matrix Scientific
Product number
046883
Product name
Methyl 4-[amino(hydroxyimino)methyl]-benzenecarboxylate
Purity
>95%
Packaging
500mg
Price
$92
Updated
2021/12/16
AK Scientific
Product number
HTS028063
Product name
methyl4-[(Z)-amino(hydroxyimino)methyl]benzoate
Packaging
1mg
Price
$117
Updated
2021/12/16
Matrix Scientific
Product number
046883
Product name
Methyl 4-[amino(hydroxyimino)methyl]-benzenecarboxylate
Purity
>95%
Packaging
1g
Price
$142
Updated
2021/12/16
SynQuest Laboratories
Product number
4641-1-01
Product name
Methyl 4-[amino(hydroxyimino)methyl]benzoate
Packaging
1g
Price
$192
Updated
2021/12/16
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METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE Chemical Properties,Usage,Production

Synthesis

1129-35-7

65695-05-8

General procedure for the synthesis of methyl 4-(N-hydroxyformamidinyl)benzoate (IV) from methyl 4-cyanobenzoate (III): methyl 4-cyanobenzoate (III) (2.50kg, 1wt) was dissolved in methanol (7.5L, 3vol) and diluted with methyl tert-butyl ether (9.3kg, 3.7wt). Aqueous hydroxylamine (50% solution; 1.23 kg, 0.5 wt, 1.2 eq.) was added slowly over about 0.5 h at 20-25 °C. The dosing line was flushed with methanol (1 kg, 0.4 wt) and the reaction was kept at 20-25 °C for about 12 hours. Upon completion of the reaction, the reaction mixture was cooled to 5±5°C and aged at this temperature for 3 hours. The product, methyl 4-(N'-hydroxyformamidinyl)benzoate (IV), was isolated by filtration, washed with methyl tert-butyl ether (2 x 5.5 kg, 2 x 2.2 wt) and dried under a stream of nitrogen for about 4 h to give the product (2.38 kg, 93% yield).

References

[1] Patent: WO2017/220446, 2017, A1. Location in patent: Page/Page column 26
[2] Journal of Labelled Compounds and Radiopharmaceuticals, 2012, vol. 55, # 2, p. 71 - 79
[3] Organic Letters, 2017, vol. 19, # 11, p. 2885 - 2888

METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE Preparation Products And Raw materials

Raw materials

Preparation Products

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METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE Suppliers

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65695-05-8, METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATERelated Search:

methyl 4-(3,5-dimethylpiperazin-1-yl)benzoate Methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoate methyl 4-(2-(1-(3-chloro-4-cyanophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)ethyl)benzoate 4-(2-BROMO-ACETYL)-BENZOIC ACID METHYL ESTER METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE 95,Methyl 4-[(Z)-amino(hydroxyimino)methyl]benzoate 95% 4-METHOXYCARBONYLBENZAMIDINE DIHYDROCHLORIDE METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE

  • (E)-Methyl 4-(N'-hydroxycarbaMiMidoyl)benzoate
  • Benzoic acid,4-[(hydroxyaMino)iMinoMethyl]-, Methyl ester
  • Methyl 4-(N-hydroxycarbamimidoyl)
  • METHYL 4-[AMINO(HYDROXYIMINO)METHYL]BENZENECARBOXYLATE
  • METHYL 4-[(Z)-AMINO(HYDROXYIMINO)METHYL]BENZOATE
  • Methyl 4-(N-hydroxycarbaMiMidoyl)benzoate
  • 4-[(HYDROXYAMINO)IMINOMETHYL]-BENZOIC ACID, METHYL ESTER
  • Methyl 4-[amino(hydroxyimino)methyl]benzoate
  • Benzoic acid, 4-[(hydroxyamino)iminomethyl]-, methyl ester (9CI)
  • methyl 4-[(Z)-N'-hydroxycarbamimidoyl]benzoate
  • Methyl 4-[(hydroxyamino)iminomethyl]benzoate
  • methyl 4-(N'-hydroxycarbamimidoyl)benzoate
  • 65695-05-8
  • AMIDINE
  • pharmacetical