2-(Tert-butoxycarbonylamino)-6-(3-nitroguanidino)hexanoic acid

Base Information

• Chemical Name: 2-(Tert-butoxycarbonylamino)-6-(3-nitroguanidino)hexanoic acid
• CAS No.: 132718-70-8
• Molecular Formula: C₁₂H₂₃N₅O₆
• Molecular Weight: 333.345
• DSSTox Substance ID: DTXSID80563648
• Mol file: 132718-70-8.mol

Synonyms:132718-70-8;Boc-D-Homoarg(NO)-OH;2-(tert-butoxycarbonylamino)-6-(3-nitroguanidino)hexanoic acid;6-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;Boc-Homoarg(NO)-OH;SCHEMBL880799;(S)-2-(tert-butoxycarbonylamino)-6-(3-nitroguanidino)hexanoic acid;DTXSID80563648;(E)-N~6~-[Amino(nitroamino)methylidene]-N~2~-(tert-butoxycarbonyl)lysine

Chemical Property of 2-(Tert-butoxycarbonylamino)-6-(3-nitroguanidino)hexanoic acid

Chemical Property:

• Melting Point: 93-96 °C
• PKA: 3.85±0.50(Predicted)
• Density: 1.37±0.1 g/cm3(Predicted)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 333.16483347
• Heavy Atom Count: 23
• Complexity: 454

Purity/Quality:

98%min ^*data from raw suppliers

2-(tert-Butoxycarbonylamino)-6-(3-nitroguanidino)hexanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CCCCN=C(N)N[N+](=O)[O-])C(=O)O

Technology Process of 2-(Tert-butoxycarbonylamino)-6-(3-nitroguanidino)hexanoic acid

There total 1 articles about 2-(Tert-butoxycarbonylamino)-6-(3-nitroguanidino)hexanoic acid 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:

2,2-dimethylpropanoic anhydride (1538-75-6) + 2-methyl-1-nitroisourea (57538-27-9) + D-lysine hydrochloride (7274-88-6,26124-78-7) → Boc-D-Har(NO2)-OH (132718-70-8)

Guidance literature:

Yield given. Multistep reaction;

Reference yield:

1-(tert-butoxycarbonyl)-L-proline (15761-39-4,59433-50-0) + Boc-cysteine(4-Me-Bn) (61925-77-7) + Boc-D-Har(NO2)-OH (132718-70-8) + 1-(N-tert-butoxycarbonyl-glycyloxy)-1H-benzotriazole (67084-40-6) → <8-D-homoarginine>deaminovasopressin (56083-27-3,52697-47-9)

Guidance literature:

Yield given. Multistep reaction;

upstream raw materials:

2,2-dimethylpropanoic anhydride

2-methyl-1-nitroisourea

D-lysine hydrochloride

Downstream raw materials:

<8-D-homoarginine>deaminovasopressin