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Cas Database |
| Name |
Dodecylbenzenesulfonyl azide |
EINECS | 679-864-1 |
| CAS No. | 79791-38-1 | Density | 1.051 g/mL at 25 °C |
| PSA | 92.27000 | LogP | 6.68256 |
| Solubility | N/A | Melting Point |
108-110°C |
| Formula | C18H29N3O2S | Boiling Point | N/A |
| Molecular Weight | 351.513 | Flash Point | >110℃ |
| Transport Information | UN 1993 | Appearance | N/A |
| Safety | 16-36/37/39 | Risk Codes | 10-36/37/38 |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
4-Dodecylbenzenesulfonylazide;p-Dodecylbenzenesulfonyl azide; |
Article Data | 3 |
Dodecylbenzenesulfonyl azide Synthetic route
- 52499-14-6
p-dodecylbenzenesulfonyl chloride
- 79791-38-1
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; |
- 619-73-8
4-nitrobenzyl chloride
- 79791-38-1
4-dodecylbenzenesulphonyl azide
- 105-45-3
acetoacetic acid methyl ester
- 82551-63-1
4-nitrobenzyl 2-diazo-3-oxo-butanoate
| Conditions | Yield |
|---|---|
| With triethylamine In toluene | 95% |
- 73178-43-5
(E)-diethyl glutaconate
- 79791-38-1
4-dodecylbenzenesulphonyl azide
- 104525-94-2
diethyl (E)-4-diazopent-2-enedioate
| Conditions | Yield |
|---|---|
| With triethylamine | 94% |
- 30414-57-4
methyl 3-oxohept-6-enoate
- 71026-66-9
N-(tert-butoxycarbonyl)-1,4-phenylenediamine
- 79791-38-1
4-dodecylbenzenesulphonyl azide
- 912838-01-8
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% |
- 79791-38-1
4-dodecylbenzenesulphonyl azide
- 124831-38-5
cis-β,4-dioxo-3-[(phenoxyacetyl)amino]-2-azetidinepentanoic acid, (4-nitrophenyl)methyl ester
- 119892-48-7
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% |
- 230-27-3
7,8-benzoquinoline
- 79791-38-1
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% |
- 79791-38-1
4-dodecylbenzenesulphonyl azide
A
- 1575700-96-7
(Z)-4-dodecyl-N-[(2-(methoxyimino)cyclohexyl)methyl]benzenesulfonamide
B
- 1575700-94-5
(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 |
- 79791-38-1
4-dodecylbenzenesulphonyl azide
- 75321-07-2
(3S,4R)-3-[(R)-1-hydroxyethyl]-4-[3-(4-nitrobenzyl)-oxycarbonyl-2-oxopropyl]azetidin-2-one
- 74288-39-4
(3S,4R)-3-[(R)-1-hydroxyethyl)-4-[3-(4-nitrobenzyl)oxycarbonyl-2-oxo-3-diazopropyl]azetidin-2-one
| Conditions | Yield |
|---|---|
| With triethylamine In acetonitrile |
- 79791-38-1
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 |
Dodecylbenzenesulfonyl azide Chemical Properties
Molecular Structure of Dodecylbenzenesulfonyl azide (CAS NO.79791-38-1):
.png)
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
Dodecylbenzenesulfonyl azide Safety Profile
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 Specification
Dodecylbenzenesulfonyl azide , with CAS number of 79791-38-1, can be called 4-Dodecylbenzenesulfonylazide ; p-Dodecylbenzenesulfonyl azide .
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