tetra-Boc-spermine-5-carboxylic acid

Base Information

• Chemical Name: tetra-Boc-spermine-5-carboxylic acid
• CAS No.: 119798-08-2
• Molecular Formula: C31H58 N4 O10
• Molecular Weight: 646.81
• DSSTox Substance ID: DTXSID80373188
• Wikidata: Q82161351
• Mol file: 119798-08-2.mol

Synonyms:119798-08-2;tetra-Boc-spermine-5-carboxylic acid;BOC4-SPER-CO2H;(2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]pentanoic acid;(S)-2,5-bis((tert-Butoxycarbonyl)(3-((tert-butoxycarbonyl)amino)propyl)amino)pentanoic acid;SCHEMBL7256993;DTXSID80373188;MFCD06656442;AKOS027250957;BS-20001;F78570;(S)-2,5-bis((tert-Butoxycarbonyl)(3-((tert-butoxycarbonyl)amino)propyl)amino)pentanoicacid;(2S)-2,5-bis({[(tert-butoxy)carbonyl](3-{[(tert-butoxy)carbonyl]amino}propyl)amino})pentanoic acid;3,20-Dioxa-5,9,14,18-tetraazadocosane-9,10,14-tricarboxylicacid,2,2,21,21-tetramethyl-4,19-dioxo-,9,14-bis(1,1-dimethylethyl)ester,(10S)-

Chemical Property of tetra-Boc-spermine-5-carboxylic acid

Chemical Property:

• Boiling Point: 737.1±60.0 °C(Predicted)
• PKA: 3.95±0.21(Predicted)
• PSA: 173.04000
• Density: 1.112±0.06 g/cm3(Predicted)
• LogP: 6.30540
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 22
• Exact Mass: 646.41529406
• Heavy Atom Count: 45
• Complexity: 975

Purity/Quality:

97% ^*data from raw suppliers

tetra-Boc-spermine-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCN(CCCC(C(=O)O)N(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Isomeric SMILES: CC(C)(C)OC(=O)NCCCN(CCC[C@@H](C(=O)O)N(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Uses: tetra-Boc-spermine-5-carboxylic acid (cas# 119798-08-2) is a spermidine (S680400) derivative used in nucleic acid transfer reactions, and in the synthesis of degradable multivalent cationic lipids with disulfide-bond spacers for gene delivery.

Technology Process of tetra-Boc-spermine-5-carboxylic acid

There total 4 articles about tetra-Boc-spermine-5-carboxylic 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: 76.0%

Nα,Nδ-bis(3-aminopropyl)-L-ornithine (124076-28-4) + 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile (58632-95-4) → N2,N5-Bis[(1,1-dimethylethoxy)carbonyl]-N2,N5-bis[3-[(1,1-dimethylethoxy)-carbonyl]aminopropyl]-L-ornithine (119798-08-2)

Guidance literature:

In tetrahydrofuran;

DOI:10.1055/s-2006-949636

Reference yield:

Nα,Nδ-bis(2-cyanoethyl)-L-ornithine (119798-07-1) → N2,N5-Bis[(1,1-dimethylethoxy)carbonyl]-N2,N5-bis[3-[(1,1-dimethylethoxy)-carbonyl]aminopropyl]-L-ornithine (119798-08-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂; NaOH / Raney-Ni / aq. ethanol / 24 h / 20 °C / 3102.89 Torr

2: 26.5 g / aq. NaOH / tetrahydrofuran / 6 h / cooling

With sodium hydroxide; hydrogen; nickel; In tetrahydrofuran; ethanol;

DOI:10.1021/ja055907h

Reference yield:

L-ornithine hydrochloride (3184-13-2,36630-89-4) → N2,N5-Bis[(1,1-dimethylethoxy)carbonyl]-N2,N5-bis[3-[(1,1-dimethylethoxy)-carbonyl]aminopropyl]-L-ornithine (119798-08-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: NaOH / methanol / 20 °C

1.2: methanol / 2 h / 20 °C

2.1: H₂; NaOH / Raney-Ni / aq. ethanol / 24 h / 20 °C / 3102.89 Torr

3.1: 26.5 g / aq. NaOH / tetrahydrofuran / 6 h / cooling

With sodium hydroxide; hydrogen; nickel; In tetrahydrofuran; methanol; ethanol;

DOI:10.1021/ja055907h

upstream raw materials:

N_α,N_δ-bis(3-aminopropyl)-L-ornithine

di-tert-butyl dicarbonate

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

N_α,N_δ-bis(2-cyanoethyl)-L-ornithine

Downstream raw materials:

{(S)-1-[2-(2-{(3,4-di(oleyloxy)benzoyl)amino}-ethyldisulfanyl)-ethylcarbamoyl]-4-[tert-butoxycarbonyl-(3-tert-butoxycarbonylaminopropyl)-amino]-butyl}-(3-tert-butoxycarbonylamino-propyl)-carbamic acid tert-butyl ester

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 119798-08-2 BOC4-SPER-CO2H

Send

Send

Metric Ton KG G Pound L ML

Send

Send