Product Name

  • Name

    Dodecylbenzenesulfonyl azide

  • EINECS 679-864-1
  • CAS No. 79791-38-1
  • Article Data3
  • CAS DataBase
  • Density 1.051 g/mL at 25 °C
  • Solubility
  • Melting Point 108-110°C
  • Formula C18H29N3O2S
  • Boiling Point
  • Molecular Weight 351.513
  • Flash Point >110℃
  • Transport Information UN 1993
  • Appearance
  • Safety 16-36/37/39
  • Risk Codes 10-36/37/38
  • Molecular Structure Molecular Structure of 79791-38-1 (Dodecylbenzenesulfonyl azide)
  • Hazard Symbols Xn
  • Synonyms 4-Dodecylbenzenesulfonylazide;p-Dodecylbenzenesulfonyl azide;
  • PSA 92.27000
  • LogP 6.68256

Synthetic route

p-dodecylbenzenesulfonyl chloride
52499-14-6

p-dodecylbenzenesulfonyl chloride

4-dodecylbenzenesulphonyl azide
79791-38-1

4-dodecylbenzenesulphonyl azide

Conditions
ConditionsYield
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
619-73-8

4-nitrobenzyl chloride

4-dodecylbenzenesulphonyl azide
79791-38-1

4-dodecylbenzenesulphonyl azide

acetoacetic acid methyl ester
105-45-3

acetoacetic acid methyl ester

4-nitrobenzyl 2-diazo-3-oxo-butanoate
82551-63-1

4-nitrobenzyl 2-diazo-3-oxo-butanoate

Conditions
ConditionsYield
With triethylamine In toluene95%
(E)-diethyl glutaconate
73178-43-5

(E)-diethyl glutaconate

4-dodecylbenzenesulphonyl azide
79791-38-1

4-dodecylbenzenesulphonyl azide

diethyl (E)-4-diazopent-2-enedioate
104525-94-2

diethyl (E)-4-diazopent-2-enedioate

Conditions
ConditionsYield
With triethylamine94%
methyl 3-oxohept-6-enoate
30414-57-4

methyl 3-oxohept-6-enoate

N-(tert-butoxycarbonyl)-1,4-phenylenediamine
71026-66-9

N-(tert-butoxycarbonyl)-1,4-phenylenediamine

4-dodecylbenzenesulphonyl azide
79791-38-1

4-dodecylbenzenesulphonyl azide

butyl 5-(3-buten-1-yl)-1-{4-[(tert-butoxycarbonyl)amino]phenyl}-1H-1,2,3-triazole-4-carboxylate
912838-01-8

butyl 5-(3-buten-1-yl)-1-{4-[(tert-butoxycarbonyl)amino]phenyl}-1H-1,2,3-triazole-4-carboxylate

Conditions
ConditionsYield
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
79791-38-1

4-dodecylbenzenesulphonyl azide

cis-β,4-dioxo-3-[(phenoxyacetyl)amino]-2-azetidinepentanoic acid, (4-nitrophenyl)methyl ester
124831-38-5

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
119892-48-7

cis-α-diazo-β,4-dioxo-3-[(phenoxyacetyl)amino]-2-azetidinepentanoic acid, (4-nitrophenyl)methyl ester

Conditions
ConditionsYield
With triethylamine In n-heptane; dichloromethane85%
7,8-benzoquinoline
230-27-3

7,8-benzoquinoline

4-dodecylbenzenesulphonyl azide
79791-38-1

4-dodecylbenzenesulphonyl azide

N-(benzo[h]quinolin-10-yl)-4-dodecylbenzenesulfonamide

N-(benzo[h]quinolin-10-yl)-4-dodecylbenzenesulfonamide

Conditions
ConditionsYield
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
79791-38-1

4-dodecylbenzenesulphonyl azide

(E)-2-methylcyclohexanone O-methyl oxime

(E)-2-methylcyclohexanone O-methyl oxime

A

(Z)-4-dodecyl-N-[(2-(methoxyimino)cyclohexyl)methyl]benzenesulfonamide
1575700-96-7

(Z)-4-dodecyl-N-[(2-(methoxyimino)cyclohexyl)methyl]benzenesulfonamide

B

(E)-4-dodecyl-N-[(2-(methoxyimino)cyclohexyl)methyl]benzenesulfonamide
1575700-94-5

(E)-4-dodecyl-N-[(2-(methoxyimino)cyclohexyl)methyl]benzenesulfonamide

Conditions
ConditionsYield
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
dibenzofuran
132-64-9

dibenzofuran

4-dodecylbenzenesulphonyl azide
79791-38-1

4-dodecylbenzenesulphonyl azide

4-azidodibenzo[b,d]furan
1399050-09-9

4-azidodibenzo[b,d]furan

Conditions
ConditionsYield
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
79791-38-1

4-dodecylbenzenesulphonyl azide

(3S,4R)-3-[(R)-1-hydroxyethyl]-4-[3-(4-nitrobenzyl)-oxycarbonyl-2-oxopropyl]azetidin-2-one
75321-07-2

(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
74288-39-4

(3S,4R)-3-[(R)-1-hydroxyethyl)-4-[3-(4-nitrobenzyl)oxycarbonyl-2-oxo-3-diazopropyl]azetidin-2-one

Conditions
ConditionsYield
With triethylamine In acetonitrile
7-(cyclohexylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

7-(cyclohexylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

4-dodecylbenzenesulphonyl azide
79791-38-1

4-dodecylbenzenesulphonyl azide

3-azido-7-(cyclohexylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

3-azido-7-(cyclohexylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

Conditions
ConditionsYield
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):

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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