3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-((((4-chlorophenyl)amino)carbonyl)oxy)-, O-2-propynyloxime, (E)-

Base Information

Chemical Name:3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-((((4-chlorophenyl)amino)carbonyl)oxy)-, O-2-propynyloxime, (E)-
CAS No.:145071-63-2
Molecular Formula:C16H16 Cl N3 O3
Molecular Weight:333.7695
Hs Code.:
Mol file:145071-63-2.mol

Synonyms:BRN 5829814;3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-((((4-chlorophenyl)amino)carbonyl)oxy)-, O-2-propynyloxime, (E)-;145071-63-2;LS-130484

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Chemical Property of 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-((((4-chlorophenyl)amino)carbonyl)oxy)-, O-2-propynyloxime, (E)-

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.22g/cm³
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:333.0880191
Heavy Atom Count:23
Complexity:504

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CCON=CC1=CCCN(C1)OC(=O)NC2=CC=C(C=C2)Cl
Isomeric SMILES:C#CCO/N=C/C1=CCCN(C1)OC(=O)NC2=CC=C(C=C2)Cl

Technology Process of 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-((((4-chlorophenyl)amino)carbonyl)oxy)-, O-2-propynyloxime, (E)-

There total 3 articles about 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-((((4-chlorophenyl)amino)carbonyl)oxy)-, O-2-propynyloxime, (E)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 71.0%

: 104-12-1
p-chlorphenylisocyanate

: 145427-97-0
1-hydroxy-1,2,5,6-tetrahydropyridine-3-carboxaldehyde-O-2-propynyloxime

: 145071-63-2
(4-Chloro-phenyl)-carbamic acid 5-(prop-2-ynyloxyimino-methyl)-3,6-dihydro-2H-pyridin-1-yl ester

Guidance literature:: In toluene; at 20 ℃;
DOI:10.1016/0223-5234(92)90186-5

Reference yield:

: 500-22-1
3-pyridinecarboxaldehyde

: 145071-63-2
(4-Chloro-phenyl)-carbamic acid 5-(prop-2-ynyloxyimino-methyl)-3,6-dihydro-2H-pyridin-1-yl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 2 N aq. HCl / 1 h / Ambient temperature

2: 85percent 3-chloroperoxybenzoic acid / 1,2-dichloro-ethane / 2 h / -5 °C

3: NaBH₄ / methanol / 1 h / Ambient temperature

4: 71 percent / toluene / 20 °C

With hydrogenchloride; sodium tetrahydroborate; 3-chloro-benzenecarboperoxoic acid; In methanol; 1,2-dichloro-ethane; toluene;
DOI:10.1016/0223-5234(92)90186-5

Reference yield:

: 22892-91-7
Pyridine-3-carbaldehyde O-prop-2-ynyl-oxime

: 145071-63-2
(4-Chloro-phenyl)-carbamic acid 5-(prop-2-ynyloxyimino-methyl)-3,6-dihydro-2H-pyridin-1-yl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 85percent 3-chloroperoxybenzoic acid / 1,2-dichloro-ethane / 2 h / -5 °C

2: NaBH₄ / methanol / 1 h / Ambient temperature

3: 71 percent / toluene / 20 °C

With sodium tetrahydroborate; 3-chloro-benzenecarboperoxoic acid; In methanol; 1,2-dichloro-ethane; toluene;
DOI:10.1016/0223-5234(92)90186-5