Di-tert-butyl {4-[(3-aminopropyl)amino]butyl}-2-imidodicarbonate

Base Information

• Chemical Name: Di-tert-butyl {4-[(3-aminopropyl)amino]butyl}-2-imidodicarbonate
• CAS No.: 68076-39-1
• Molecular Formula: C17H35N3O4
• Molecular Weight: 345.483
• Hs Code.: 29225090
• DSSTox Substance ID: DTXSID50703473
• Wikidata: Q82635646
• Mol file: 68076-39-1.mol

Synonyms:SCHEMBL8502443;DTXSID50703473;Di-tert-butyl {4-[(3-aminopropyl)amino]butyl}-2-imidodicarbonate

Chemical Property of Di-tert-butyl {4-[(3-aminopropyl)amino]butyl}-2-imidodicarbonate

Chemical Property:

• Boiling Point: 462.0±38.0 °C(Predicted)
• PKA: 12.87±0.46(Predicted)
• PSA: 93.89000
• Density: 1.028±0.06 g/cm3(Predicted)
• LogP: 3.96840
• Storage Temp.: ?20°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 345.26275661
• Heavy Atom Count: 24
• Complexity: 358

Purity/Quality:

98%,99%, ^*data from raw suppliers

N1,N5-Bis-Boc-spermidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(CCCCNCCCN)C(=O)OC(C)(C)C
• Description: N1,N5-Bis-Boc-spermidine is a linker containing an amino group with two Boc-protected amino groups. The amino 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 Di-tert-butyl {4-[(3-aminopropyl)amino]butyl}-2-imidodicarbonate

There total 29 articles about Di-tert-butyl {4-[(3-aminopropyl)amino]butyl}-2-imidodicarbonate 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%

tert-butyl 2-cyanoethyl-{4-[(tert-butoxycarbonyl)amino]butyl}carbamate (68076-41-5) → N1,N5-di-boc-spermidine (68076-39-1)

Guidance literature:

With sodium hydroxide; hydrogen; nickel; In ethanol; at 30 ℃; for 18h; under 2250.23 Torr;

Reference yield: 98.0%

{3-[tert-Butoxycarbonyl-(4-tert-butoxycarbonylamino-butyl)-amino]-propyl}-carbamic acid benzyl ester (68102-93-2) → N1,N5-di-boc-spermidine (68076-39-1)

Guidance literature:

With hydrogen; palladium;

Reference yield: 93.4%

N4,N8-bis-Boc-N1-phtal-Spd → N1,N5-di-boc-spermidine (68076-39-1)

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 ℃;

upstream raw materials:

tert-butyl 2-cyanoethyl-{4-[(tert-butoxycarbonyl)amino]butyl}carbamate

{3-[tert-Butoxycarbonyl-(4-tert-butoxycarbonylamino-butyl)-amino]-propyl}-carbamic acid benzyl ester

tert-butyl 4-((3-(1,3-dioxoisoindolin-2-yl)propyl)(tert-butoxycarbonyl)amino)butylcarbamate

di-tert-butyl dicarbonate

Downstream raw materials:

N⁽¹⁾-(p-aminobenzoyl)-N⁽⁴⁾,N⁽⁸⁾-di-(tert-butyloxycarbonyl)-1,8-diamino-4-azaoctane

Di(tert-butyl)-N-(3-(<(E)-3-(4-hydroxyphenyl)prop-2-enoyl>amino)propyl)-N,N'-(butan-1,4-diyl)bis

N¹-<(3-nitrobenzen-1-yl)carbonyl>-N⁴,N⁸-bis(tert-butoxycarbonyl)spermidine

tert-butyl N-<3-(benzamido)propyl>-N-<4-(<(tert-butyloxy)carbonyl>amino)butyl>carbamate

Refernces

• 1、 Ma, Jing,Li, Linrong,Yue, Kexin,Zhang, Zhansheng,Su, Shihao,Chen, Yutong,Yu, Lu,Zhang, Pengfei,Ma, Ruijuan,Li, Yingguang,Ma, Yinxia,Jia, Huinan,Wang, Chaojie,Wang, Jiajia,Xie, Songqiang. "A naphthalimide-polyamine conjugate preferentially accumulates in hepatic carcinoma metastases as a lysosome-targeted antimetastatic agent". supporting information. . Retrieved 2021/05/10.
• 2、 -. "8-polyamido dihydromyricetin derivative and preparation method and application thereof". Paragraph 0021. . Retrieved 2018/03/28.