[ CAS No. 704911-47-7 ]

{[proInfo.proName]}
Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 704911-47-7
Chemical Structure| 704911-47-7
Structure of 704911-47-7

Quality Control of [ 704911-47-7 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 704911-47-7 ]

SDS

Product Details of [ 704911-47-7 ]

CAS No. :704911-47-7MDL No. :MFCD13188574
Formula :C4H4BrN3O2Boiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :206.00Pubchem ID :12152084
Synonyms :

Computed Properties of [ 704911-47-7 ]

TPSA : 67.9 H-Bond Acceptor Count : 4
XLogP3 : 1.2 H-Bond Donor Count : 1
SP3 : 0.25 Rotatable Bond Count : 2

Safety of [ 704911-47-7 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 704911-47-7 ]

  • Upstream synthesis route of [ 704911-47-7 ]

[ 704911-47-7 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 3641-14-3 ]
  • [ 704911-47-7 ]
YieldReaction ConditionsOperation in experiment
58%
Stage #1: With sulfuric acid; sodium nitrite In water at -3℃; for 0.50 h;
Stage #2: With potassium bromide; copper(I) bromide In water at -3 - 25℃;
Step 1 : Methyl 5-bromo-1 /--1.2.4-triazole-3-carboxylate (306a) Methyl 5-amino-1 H-1 ,2,4-triazole-3-carboxylate (6.5 g, 45 mmol) was suspended in a mixture of cone. H2S04 (6 ml_) and water (100 ml_). Then an aq. solution of NaN02 (6.4 g, 67 mmol) was added to the suspension at -3°C. After 30 min at -3°C a freshly prepared aq. solution of CuBr (4.2 g, 21 mmol) and KBr (13.0 g, 91 mmol) was added dropwise. After stirring for 3 h at 25°C the mixture was extracted with EA. The crude product was purified by CC (DCM/CH3OH = 20/1) to give compound 306a (5.5 g, 58percent) as a white solid.
Reference: [1] Tetrahedron Letters, 2007, vol. 48, # 13, p. 2389 - 2393
[2] Patent: WO2014/23367, 2014, A1. Location in patent: Page/Page column 127
  • 2
  • [ 67-56-1 ]
  • [ 674287-63-9 ]
  • [ 704911-47-7 ]
Reference: [1] Russian Journal of Bioorganic Chemistry, 2013, vol. 39, # 1, p. 53 - 71[2] Bioorganicheskaya Khimiya, 2013, vol. 39, # 1, p. 61 - 80,20
Related Products
Historical Records

Related Functional Groups of
[ 704911-47-7 ]

Bromides

Chemical Structure| 774608-89-8

[ 774608-89-8 ]

Ethyl 5-bromo-1H-1,2,4-triazole-3-carboxylate

Similarity: 0.97

Chemical Structure| 1380331-36-1

[ 1380331-36-1 ]

Ethyl 7-bromo-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate

Similarity: 0.51

Esters

Chemical Structure| 774608-89-8

[ 774608-89-8 ]

Ethyl 5-bromo-1H-1,2,4-triazole-3-carboxylate

Similarity: 0.97

Chemical Structure| 4928-88-5

[ 4928-88-5 ]

Methyl 1H-1,2,4-triazole-3-carboxylate

Similarity: 0.82

Chemical Structure| 3641-14-3

[ 3641-14-3 ]

Methyl 5-Amino-1,2,4-triazole-3-carboxylate

Similarity: 0.75

Chemical Structure| 774608-88-7

[ 774608-88-7 ]

Ethyl 5-chloro-1H-1,2,4-triazole-3-carboxylate

Similarity: 0.72

Chemical Structure| 40253-47-2

[ 40253-47-2 ]

Ethyl 5-methyl-1H-1,2,4-triazole-3-carboxylate

Similarity: 0.72

Related Parent Nucleus of
[ 704911-47-7 ]

Aromatic Heterocycles

Chemical Structure| 774608-89-8

[ 774608-89-8 ]

Ethyl 5-bromo-1H-1,2,4-triazole-3-carboxylate

Similarity: 0.97

Chemical Structure| 4928-88-5

[ 4928-88-5 ]

Methyl 1H-1,2,4-triazole-3-carboxylate

Similarity: 0.82

Chemical Structure| 3641-14-3

[ 3641-14-3 ]

Methyl 5-Amino-1,2,4-triazole-3-carboxylate

Similarity: 0.75

Chemical Structure| 774608-88-7

[ 774608-88-7 ]

Ethyl 5-chloro-1H-1,2,4-triazole-3-carboxylate

Similarity: 0.72

Chemical Structure| 40253-47-2

[ 40253-47-2 ]

Ethyl 5-methyl-1H-1,2,4-triazole-3-carboxylate

Similarity: 0.72

Triazoles

Chemical Structure| 774608-89-8

[ 774608-89-8 ]

Ethyl 5-bromo-1H-1,2,4-triazole-3-carboxylate

Similarity: 0.97

Chemical Structure| 4928-88-5

[ 4928-88-5 ]

Methyl 1H-1,2,4-triazole-3-carboxylate

Similarity: 0.82

Chemical Structure| 3641-14-3

[ 3641-14-3 ]

Methyl 5-Amino-1,2,4-triazole-3-carboxylate

Similarity: 0.75

Chemical Structure| 774608-88-7

[ 774608-88-7 ]

Ethyl 5-chloro-1H-1,2,4-triazole-3-carboxylate

Similarity: 0.72

Chemical Structure| 40253-47-2

[ 40253-47-2 ]

Ethyl 5-methyl-1H-1,2,4-triazole-3-carboxylate

Similarity: 0.72