• Name

  (S)-1-Boc-2-methyl-[1,4]diazepane

• EINECS 1592732-453-0
• CAS No. 194032-32-1
• Article Data4
• CAS DataBase
• Density 0.981 g/cm³
• Solubility
• Melting Point
• Formula C₁₁H₂₂N₂O₂
• Boiling Point 288.33 °C at 760 mmHg
• Molecular Weight 214.308
• Flash Point 128.177 °C
• Transport Information
• Appearance Yellow Oil
• Safety
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms 2-Methyl-2-propanyl (2S)-2-methyl-1,4-diazepane-1-carboxylate;
• PSA 41.57000
• LogP 1.87200

Synthetic route

949109-36-8

tert-butyl (S)-3-methyl-4-[(2-nitrophenyl)sulfonyl]-1,4-diazepane-1-carboxylate

194032-32-1

(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
With potassium carbonate; thiophenol In acetonitrile at 20℃; for 18h; Inert atmosphere; Large scale;	86%
With potassium carbonate; thiophenol In acetonitrile at 20℃; for 24h;	85.7%

1360538-91-5

(S)-1-benzyl 4-tert-butyl 2-methyl-1,4-diazepane-1,4-dicarboxylate

194032-32-1

(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol; mineral oil at 20℃; for 19h; Inert atmosphere;	60.7%

1001401-71-3

tert-butyl (S)-4-benzyl-3-methyl-1,4-diazepane-1-carboxylate

194032-32-1

(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
With hydrogen; palladium dihydroxide In methanol; ethyl acetate

24424-99-5

di-tert-butyl dicarbonate

194032-32-1

(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / water; ethanol / Inert atmosphere; Large scale 2: potassium carbonate; thiophenol / acetonitrile / 18 h / 20 °C / Inert atmosphere; Large scale View Scheme

949109-35-7

(S)-tert-butyl 3-hydroxypropyl(2-(2-nitrophenylsulfonylamide)propyl)carbamate

194032-32-1

(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 9 h / 5 - 20 °C / Inert atmosphere; Large scale 2: potassium carbonate; thiophenol / acetonitrile / 24 h / 20 °C View Scheme

1360538-87-9

(S)-N-{1-[(3-hydroxypropyl)amino]propan-2-yl}-2-nitrobenzenesulfonamide

194032-32-1

(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 16 h / 5 - 20 °C / Inert atmosphere 2: hydrogenchloride / water; ethyl acetate / pH 4 / Large scale 3: potassium carbonate / water; ethanol / 5 h / 5 °C / Large scale 4: potassium carbonate; thiophenol / acetonitrile / 24 h / 20 °C View Scheme

906820-08-4

4-fluoroisoquinoline-5-sulfonyl chloride hydrochloride

194032-32-1

(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

1360538-86-8

(S)-tert-butyl 4-[(4-fluoroisoquinoline-5-yl)sulfonyl]-3-methyl-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
With triethylamine In acetonitrile for 2h; Solvent; Time; Temperature; Inert atmosphere; Cooling with ice; Large scale;	100%

906820-08-4

4-fluoroisoquinoline-5-sulfonyl chloride hydrochloride

194032-32-1

(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

223644-02-8

4-fluoro-5-[[(2S)-hexahydro-2-methyl-1H-1,4-diazepin-1-yl]sulfonyl]isoquinoline hydrochloride

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 0℃; for 2h;	97%

1001401-62-2

2-(2H-1,2,3-triazol-2-yl)benzoic acid

194032-32-1

(S)-tert-butyl 3-methyl-1,4-diazepane-1-carboxylate

1001401-72-4

tert-butyl (S)-3-methyl-4-(2-(2H-1,2,3-triazol-2-yl)benzoyl)-1,4-diazepane-1-carboxylate

Conditions

Conditions	Yield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine In N,N-dimethyl-formamide at 50℃;

(S)-1-Boc-2-methyl-[1,4]diazepane Specification