2,2,3,4-Tetra-tert-butyl-3-methyl-1,4-diazepane-1-carboxylate

Base Information

• Chemical Name: 2,2,3,4-Tetra-tert-butyl-3-methyl-1,4-diazepane-1-carboxylate
• CAS No.: 194032-35-4
• Molecular Formula: C11H22 N2 O2
• Molecular Weight: 214.3
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80692947
• Mol file: 194032-35-4.mol

Synonyms:DTXSID80692947;AKOS025296231;2,2,3,4-Tetra-tert-butyl-3-methyl-1,4-diazepane-1-carboxylate

Chemical Property of 2,2,3,4-Tetra-tert-butyl-3-methyl-1,4-diazepane-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.00235mmHg at 25°C
• Refractive Index: 1.456
• Boiling Point: 288.3°C at 760 mmHg
• PKA: 10.42±0.40(Predicted)
• Flash Point: 128.2°C
• PSA: 41.57000
• Density: 0.98g/cm³
• LogP: 1.87200
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 381.34810368
• Heavy Atom Count: 27
• Complexity: 535

Purity/Quality:

97% ^*data from raw suppliers

tert-butyl3-methyl-1,4-diazepane-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(N(CCCN1C(C)(C)C)C(=O)[O-])(C(C)(C)C)C(C)(C)C)C(C)(C)C

Technology Process of 2,2,3,4-Tetra-tert-butyl-3-methyl-1,4-diazepane-1-carboxylate

There total 3 articles about 2,2,3,4-Tetra-tert-butyl-3-methyl-1,4-diazepane-1-carboxylate 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:

tert-butyl 4-benzyl-3-methyl-1,4-diazepane-1-carboxylate (1001401-67-7) → 4-(tert-butoxycarbonyl)-hexahydro-2-methyl-1H-1,4-diazepine (194032-35-4)

Guidance literature:

With hydrogen; palladium dihydroxide; In methanol; for 2h;

Reference yield:

2-Methyl-hexahydro-1H-1,4-diazepine (65974-17-6) → 4-(tert-butoxycarbonyl)-hexahydro-2-methyl-1H-1,4-diazepine (194032-35-4)

Guidance literature:

Reference yield:

→ 4-(tert-butoxycarbonyl)-hexahydro-2-methyl-1H-1,4-diazepine (194032-35-4)

Guidance literature:

upstream raw materials:

tert-butyl 4-benzyl-3-methyl-1,4-diazepane-1-carboxylate

2-Methyl-hexahydro-1H-1,4-diazepine

Downstream raw materials:

tert-butyl 3-methyl-4-(5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl)-1,4-diazepane-1-carboxylate

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