Home Cart 0 Sign in  

[ CAS No. 31127-39-6 ]

{[proInfo.proName]}
Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 31127-39-6
Chemical Structure| 31127-39-6
Structure of 31127-39-6 *Storage: {[proInfo.prStorage]}

Quality Control of [ 31127-39-6 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 31127-39-6 ]

SDS

Product Details of [ 31127-39-6 ]

CAS No. :31127-39-6MDL No. :MFCD00862517
Formula :C9H9NO3Boiling Point :299.8°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :179.17Pubchem ID :-
Synonyms :

Computed Properties of [ 31127-39-6 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 31127-39-6 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 31127-39-6 ]

  • Upstream synthesis route of [ 31127-39-6 ]
  • Downstream synthetic route of [ 31127-39-6 ]

[ 31127-39-6 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 29668-44-8 ]
  • [ 31127-39-6 ]
YieldReaction ConditionsOperation in experiment
98% With hydroxylamine hydrochloride; sodium hydroxide In ethanol at 80℃; for 4.00 h; Inert atmosphere General procedure: To a suspension of aldehyde (30/35 mmol) in ethanol (50 mL) was added NH2OH*HCl (2 eq) and NaOH pellets (1.8 eq). The suspension was stirred at 80 C for 4 h and concentrated in vacuo. The crude product was extracted in EtOAc (200 mL). The organic layer was washed with 1 N HCl (2 200 mL), water (4 200 mL), dried (MgSO4) and concentrated in vacuo. If TLC showed impurities, the solid was washed with a minimum of cold Et2O to afford the aldoxime as a white powder.
Reference: [1] European Journal of Medicinal Chemistry, 2016, vol. 108, p. 444 - 454
[2] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 10, p. 1795 - 1799
[3] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 15, p. 3965 - 3970
[4] Bulletin of the Korean Chemical Society, 2012, vol. 33, # 12, p. 4227 - 4230
[5] Advanced Synthesis and Catalysis, 2014, vol. 356, # 5, p. 977 - 981
[6] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 21, p. 5440 - 5448
[7] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 12, p. 2674 - 2677
[8] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 23-24, p. 3741 - 3747
  • 2
  • [ 124362-47-6 ]
  • [ 31127-39-6 ]
Reference: [1] Patent: CN108117534, 2018, A. Location in patent: Paragraph 1177; 1178; 1179
Historical Records

Related Functional Groups of
[ 31127-39-6 ]

Oximes

Chemical Structure| 94-67-7

[ 94-67-7 ]

2-Hydroxybenzaldehyde oxime

Similarity: 0.75

Chemical Structure| 932-90-1

[ 932-90-1 ]

Benzaldoxime, predominantly (E)-isomer

Similarity: 0.58

Chemical Structure| 3349-64-2

[ 3349-64-2 ]

3,4-Dihydronaphthalen-1(2H)-one oxime

Similarity: 0.52

Chemical Structure| 441-38-3

[ 441-38-3 ]

2-Hydroxy-1,2-diphenylethanone oxime

Similarity: 0.52

Chemical Structure| 23873-81-6

[ 23873-81-6 ]

BenzilDioxime

Similarity: 0.51

Related Parent Nucleus of
[ 31127-39-6 ]

Aromatic Heterocycles

Chemical Structure| 496-16-2

[ 496-16-2 ]

2,3-Dihydrobenzo[b]furan

Similarity: 0.66

Chemical Structure| 29668-44-8

[ 29668-44-8 ]

2,3-Dihydrobenzo[b][1,4]dioxine-6-carbaldehyde

Similarity: 0.65

Chemical Structure| 13391-27-0

[ 13391-27-0 ]

5-Methoxy-2-methylbenzofuran

Similarity: 0.65

Chemical Structure| 39989-39-4

[ 39989-39-4 ]

7-Methoxyisoquinoline

Similarity: 0.64

Chemical Structure| 52986-70-6

[ 52986-70-6 ]

6-Methoxyisoquinoline

Similarity: 0.64

Benzodioxans

Chemical Structure| 39270-39-8

[ 39270-39-8 ]

(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methanol

Similarity: 0.72

Chemical Structure| 29668-44-8

[ 29668-44-8 ]

2,3-Dihydrobenzo[b][1,4]dioxine-6-carbaldehyde

Similarity: 0.65

Chemical Structure| 79440-34-9

[ 79440-34-9 ]

6-(Bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine

Similarity: 0.64

Chemical Structure| 1260811-27-5

[ 1260811-27-5 ]

Bis((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)amine

Similarity: 0.63

Chemical Structure| 274910-19-9

[ 274910-19-9 ]

(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)methanol

Similarity: 0.61