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CAS No.: | 79791-38-1 |
---|---|
Name: | Dodecylbenzenesulfonyl azide |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C18H29N3O2S |
Molecular Weight: | 351.513 |
Synonyms: | 4-Dodecylbenzenesulfonylazide;p-Dodecylbenzenesulfonyl azide; |
EINECS: | 679-864-1 |
Density: | 1.051 g/mL at 25 °C |
Melting Point: | 108-110°C |
Flash Point: | >110℃ |
Hazard Symbols: | Xn |
Risk Codes: | 10-36/37/38 |
Safety: | 16-36/37/39 |
Transport Information: | UN 1993 |
PSA: | 92.27000 |
LogP: | 6.68256 |
p-dodecylbenzenesulfonyl chloride
4-dodecylbenzenesulphonyl azide
Conditions | Yield |
---|---|
With sodium azide In water; acetone at 10 - 30℃; Temperature; Flow reactor; | 82.2% |
With sodium azide In water; acetone at 20℃; for 11h; |
4-nitrobenzyl chloride
4-dodecylbenzenesulphonyl azide
acetoacetic acid methyl ester
4-nitrobenzyl 2-diazo-3-oxo-butanoate
Conditions | Yield |
---|---|
With triethylamine In toluene | 95% |
(E)-diethyl glutaconate
4-dodecylbenzenesulphonyl azide
diethyl (E)-4-diazopent-2-enedioate
Conditions | Yield |
---|---|
With triethylamine | 94% |
methyl 3-oxohept-6-enoate
N-(tert-butoxycarbonyl)-1,4-phenylenediamine
4-dodecylbenzenesulphonyl azide
butyl 5-(3-buten-1-yl)-1-{4-[(tert-butoxycarbonyl)amino]phenyl}-1H-1,2,3-triazole-4-carboxylate
Conditions | Yield |
---|---|
Stage #1: methyl 3-oxohept-6-enoate; N-(tert-butoxycarbonyl)-1,4-phenylenediamine; butan-1-ol With sulfuric acid for 6h; Heating / reflux; Stage #2: 4-dodecylbenzenesulphonyl azide With triethylamine In acetonitrile at 20℃; for 6h; Heating / reflux; Stage #3: With sodium nitrite In water; acetonitrile at 20℃; | 86% |
4-dodecylbenzenesulphonyl azide
cis-β,4-dioxo-3-[(phenoxyacetyl)amino]-2-azetidinepentanoic acid, (4-nitrophenyl)methyl ester
cis-α-diazo-β,4-dioxo-3-[(phenoxyacetyl)amino]-2-azetidinepentanoic acid, (4-nitrophenyl)methyl ester
Conditions | Yield |
---|---|
With triethylamine In n-heptane; dichloromethane | 85% |
7,8-benzoquinoline
4-dodecylbenzenesulphonyl azide
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer In 1,2-dichloro-ethane at 20 - 80℃; for 12.1667h; Inert atmosphere; | 77% |
4-dodecylbenzenesulphonyl azide
A
(Z)-4-dodecyl-N-[(2-(methoxyimino)cyclohexyl)methyl]benzenesulfonamide
B
(E)-4-dodecyl-N-[(2-(methoxyimino)cyclohexyl)methyl]benzenesulfonamide
Conditions | Yield |
---|---|
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; silver(I) acetate; silver(I) triflimide In 1,2-dichloro-ethane at 80℃; for 24h; | A 75% B n/a |
Conditions | Yield |
---|---|
Stage #1: dibenzofuran With n-butyllithium In tetrahydrofuran at 20℃; Cooling with acetone-dry ice; Inert atmosphere; Stage #2: 4-dodecylbenzenesulphonyl azide In tetrahydrofuran at 20℃; for 3h; Cooling with acetone-dry ice; | 55% |
With n-butyllithium In tetrahydrofuran |
4-dodecylbenzenesulphonyl azide
(3S,4R)-3-[(R)-1-hydroxyethyl]-4-[3-(4-nitrobenzyl)-oxycarbonyl-2-oxopropyl]azetidin-2-one
(3S,4R)-3-[(R)-1-hydroxyethyl)-4-[3-(4-nitrobenzyl)oxycarbonyl-2-oxo-3-diazopropyl]azetidin-2-one
Conditions | Yield |
---|---|
With triethylamine In acetonitrile |
4-dodecylbenzenesulphonyl azide
Conditions | Yield |
---|---|
Stage #1: 7-(cyclohexylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: 4-dodecylbenzenesulphonyl azide In tetrahydrofuran; hexane at 20℃; for 2h; | 0.55 g |
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Molecular Structure of Dodecylbenzenesulfonyl azide (CAS NO.79791-38-1):
Empirical Formula: C18H29N3O2S
Molecular Weight: 351.5068
ACD/LogP: 6.76
of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 6.76
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 5.5): 81240.82
ACD/BCF (pH 7.4): 81240.82
ACD/KOC (pH 5.5): 113761.79
ACD/KOC (pH 7.4): 113761.79
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 13
Polar Surface Area: 54.88 ?2
SMILES: CCCCCCCCCCCCc1ccccc1S(=O)(=O)N=[N+]=[N-]
InChI: InChI=1/C18H29N3O2S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)24(22,23)21-20-19/h12-13,15-16H,2-11,14H2,1H3
Risk Statements: 10-36/37/38
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-36/37/39
S16:Keep away from sources of ignition.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 1993
Dodecylbenzenesulfonyl azide , with CAS number of 79791-38-1, can be called 4-Dodecylbenzenesulfonylazide ; p-Dodecylbenzenesulfonyl azide .