Tert-butyl N-(9-aminononyl)carbamate

Base Information

• Chemical Name: Tert-butyl N-(9-aminononyl)carbamate
• CAS No.: 510754-90-2
• Molecular Formula: C14H30 N2 O2
• Molecular Weight: 258.404
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID00394274
• Nikkaji Number: J2.394.275E
• Wikidata: Q82193559
• Mol file: 510754-90-2.mol

Synonyms:510754-90-2;Tert-butyl N-(9-aminononyl)carbamate;tert-Butyl (9-aminononyl)carbamate;tert-butyl 9-aminononylcarbamate;N-Boc-nonane-1,9-diamine;tert-Butyl (9-aminonon-1-yl)carbamate;SCHEMBL1206249;DTXSID00394274;tert-Butyl(9-aminononyl)carbamate;MFCD02094500;9-Aminononyl(tert-butoxycarbonyl)amine;AKOS027378895;BP-28261;BS-51518;CS-0154364;FT-0758838;E76722;A1-01114

Chemical Property of Tert-butyl N-(9-aminononyl)carbamate

Chemical Property:

• Vapor Pressure: 1.56E-05mmHg at 25°C
• Melting Point: 65 °C
• Boiling Point: 365.5°Cat760mmHg
• PKA: 12.94±0.46(Predicted)
• Flash Point: 174.9°C
• PSA: 64.35000
• Density: 0.937g/cm³
• LogP: 4.29170
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 258.230728204
• Heavy Atom Count: 18
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

1-BOC-1,9-DIAMINONONANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCCCCCCCN
• Description: tert-Butyl (9-aminononyl)carbamate is an alkane chain with terminal amine and Boc-protected amino groups. The compound can be used as a PROTAC linker in the synthesis of PROTACs and other conjugation applications. Amine group is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc. The Boc group can be deprotected under mild acidic conditions to form the free amine.

Technology Process of Tert-butyl N-(9-aminononyl)carbamate

There total 3 articles about Tert-butyl N-(9-aminononyl)carbamate 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: 100.0%

→ (9-amino-nonyl)-carbamic acid tert-butyl ester (510754-90-2)

Guidance literature:

Reference yield: 84.0%

1.9-diaminononane (646-24-2) + di-tert-butyl dicarbonate (24424-99-5) → (9-amino-nonyl)-carbamic acid tert-butyl ester (510754-90-2)

Guidance literature:

In 1,4-dioxane; at 20 ℃;

DOI:10.1021/jm800637b

Reference yield:

1.9-diaminononane (646-24-2) + 2,2-dimethylpropanoic anhydride (1538-75-6) → (9-amino-nonyl)-carbamic acid tert-butyl ester (510754-90-2)

Guidance literature:

In chloroform; at 20 ℃;

DOI:10.1021/jm300335n

upstream raw materials:

1.9-diaminononane

di-tert-butyl dicarbonate

2,2-dimethylpropanoic anhydride

Downstream raw materials:

N-[9-(N²,N³-bis(tert-butoxycarbonyl)guanidino)nonyl]-N-(1-phenethylpiperidin-4-yl)propanamide

tert-butyl {9-[(1-phenethylpiperidin-4-yl)propionylamino]nonyl}carbamate

tert-butyl [9-(1-phenethylpiperidin-4-ylamino)nonyl]carbamate