1,3-Diaminopentane

Base Information

• Chemical Name: 1,3-Diaminopentane
• CAS No.: 589-37-7
• Molecular Formula: C5H14 N2
• Molecular Weight: 102.18
• Hs Code.: 2921290000
• European Community (EC) Number: 679-789-4
• UNII: VHY9GB8KY0
• DSSTox Substance ID: DTXSID30866818
• Nikkaji Number: J534.064K
• Wikidata: Q27291843
• Mol file: 589-37-7.mol

Synonyms:1,3-Diaminopentane;1,3-Pentanediamine;589-37-7;pentane-1,3-diamine;UNII-VHY9GB8KY0;VHY9GB8KY0;DYTEK EP;1-ethyl-1,3-propanediamine;SCHEMBL58102;(3-amino-1-ethylpropyl)amine;Dytek(R) EP diamine, 98%;1-ETHYLTRIMETHYLENEDIAMINE;WTSXICLFTPPDTL-UHFFFAOYSA-;DTXSID30866818;MFCD00134550;AKOS000120409;AKOS017278365;CS-0238941;D2252;FT-0606613;EN300-20281;Q27291843

Chemical Property of 1,3-Diaminopentane

Chemical Property:

• Vapor Pressure: 2.22mmHg at 25°C
• Melting Point: −121 °C(lit.)
• Refractive Index: n20/D 1.452(lit.)
• Boiling Point: 164 °C(lit.)
• PKA: 10.45±0.35(Predicted)
• Flash Point: 56.1°C
• PSA: 52.04000
• Density: 0.86g/cm³
• LogP: 1.47310
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 102.115698455
• Heavy Atom Count: 7
• Complexity: 37.1

Purity/Quality:

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

1,3-Diaminopentane >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 6796726
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CCC(CCN)N

Technology Process of 1,3-Diaminopentane

There total 3 articles about 1,3-Diaminopentane 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: 99.5%

→ 1,3-diaminopentane (589-37-7)

Guidance literature:

Reference yield: 87.0%

3-Vinyl-1-pyrazolin (15779-79-0) → 1,3-diaminopentane (589-37-7)

Guidance literature:

With hydrogen; In methanol; at 100 ℃; for 6h; under 75007.5 - 97509.8 Torr; Autoclave;

DOI:10.1134/S1070428011020035

Reference yield: 69.0%

N-(3-(4-methylphenylsulfonamido)pentyl)picolinamide → 1,3-diaminopentane (589-37-7)

Guidance literature:

With titanium(IV) isopropylate; chloro-trimethyl-silane; magnesium; In tetrahydrofuran; at 50 ℃; for 24h; regioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201606531

upstream raw materials:

3-Vinyl-1-pyrazolin

Downstream raw materials:

N-(3-Aminopentyl)benzamide

tert-butyl (3-aminopentyl)carbamate

Refernces

• 1、 Xiao, Xinsheng,Hou, Cheng,Zhang, Zhenhui,Ke, Zhuofeng,Lan, Jianyong,Jiang, Huanfeng,Zeng, Wei. "Iridium(III)-Catalyzed Regioselective Intermolecular Unactivated Secondary Csp3?H Bond Amidation". supporting information. p. 11897 - 11901. Retrieved 2016/11/16.