4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol

Base Information

Chemical Name:4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol
CAS No.:116747-79-6
Molecular Formula:C10H23 N O3
Molecular Weight:205.298
Hs Code.:2922199090
European Community (EC) Number:623-348-0
DSSTox Substance ID:DTXSID90399197
Nikkaji Number:J1.675.741A
Wikidata:Q82201593
Mol file:116747-79-6.mol

Synonyms:Bis-homotris;116747-79-6;4-amino-4-(3-hydroxypropyl)heptane-1,7-diol;bishomotris;4-Amino-4-(3-hydroxypropyl)-1,7-heptanediol;SCHEMBL414798;DTXSID90399197;FT-0763846;4-Amino-4-(3-hydroxypropyl)-1,7-heptanediol, 97%;InChI=1/C10H23NO3/c11-10(4-1-7-12,5-2-8-13)6-3-9-14/h12-14H,1-9,11H

Suppliers and Price of 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Bis-Homotris
100mg
$ 65.00

Sigma-Aldrich
4-Amino-4-(3-hydroxypropyl)-1,7-heptanediol 97%
1g
$ 86.40

American Custom Chemicals Corporation
BIS-HOMOTRIS 95.00%
10G
$ 1580.62

American Custom Chemicals Corporation
BIS-HOMOTRIS 95.00%
5G
$ 1062.46

American Custom Chemicals Corporation
BIS-HOMOTRIS 95.00%
1G
$ 671.55

Total 5 raw suppliers

Chemical Property of 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol

Chemical Property:

Vapor Pressure:9.54E-10mmHg at 25°C
Melting Point:108-110 °C(lit.)
Refractive Index:1.506
Boiling Point:220-235 °C0.5 mm Hg(lit.)
Flash Point:190.8°C
PSA：86.71000
Density:1.081g/cm³
LogP:0.70170
XLogP3:-0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:205.16779360
Heavy Atom Count:14
Complexity:109

Purity/Quality:

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

Bis-Homotris ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(CC(CCCO)(CCCO)N)CO

Technology Process of 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol

There total 3 articles about 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol 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: 82.0%

: 116747-80-9
4-(3-hydroxypropyl)-4-nitro-heptane-1,7-diol

: 116747-79-6
4-amino-4-<1-(3-hydroxypropyl)>-1,7-heptanediol

Guidance literature:: With hydrogen; T-1 Raney Ni; In ethanol; at 25 ℃; for 72h; under 2280 Torr;
DOI:10.1021/jo00258a033

Reference yield:

: 1466-48-4
tris(2-cyanoethyl)nitromethane

: 116747-79-6
4-amino-4-<1-(3-hydroxypropyl)>-1,7-heptanediol

Guidance literature:: Multi-step reaction with 3 steps

1: 94 percent / conc. HCl / 0.75 h / Heating

2: 95 percent / BH₃ / tetrahydrofuran / 0.5 h / 25 °C

3: 82 percent / H₂ / T-1 Raney Ni / ethanol / 72 h / 25 °C / 2280 Torr

With hydrogenchloride; borane; hydrogen; T-1 Raney Ni; In tetrahydrofuran; ethanol;
DOI:10.1021/jo00258a033

Reference yield:

: 59085-15-3
4-(2-carboxyethyl)-4-nitroheptanedioic acid

: 116747-79-6
4-amino-4-<1-(3-hydroxypropyl)>-1,7-heptanediol

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / BH₃ / tetrahydrofuran / 0.5 h / 25 °C

2: 82 percent / H₂ / T-1 Raney Ni / ethanol / 72 h / 25 °C / 2280 Torr

With borane; hydrogen; T-1 Raney Ni; In tetrahydrofuran; ethanol;
DOI:10.1021/jo00258a033