1-(3-Hydroxypropyl)pyrrole

Base Information

• Chemical Name: 1-(3-Hydroxypropyl)pyrrole
• CAS No.: 50966-69-3
• Molecular Formula: C7H11NO
• Molecular Weight: 125.17
• Hs Code.: 2933990090
• European Community (EC) Number: 679-987-0
• DSSTox Substance ID: DTXSID80510096
• Nikkaji Number: J534.100K
• Wikidata: Q82368155
• Mol file: 50966-69-3.mol

Synonyms:1-(3-Hydroxypropyl)pyrrole;50966-69-3;3-(1H-pyrrol-1-yl)propan-1-ol;3-pyrrol-1-ylpropan-1-ol;Hydroxypropylpyrrole;97%;N-(hydroxypropyl)pyrrole;3-pyrrol-1-yl-propanol;N-(3-hydroxypropyl)pyrrole;N-(3-hydroxy propyl)pyrrole;SCHEMBL422470;DTXSID80510096;ORCXGLCMROHGOM-UHFFFAOYSA-N;MFCD00191453;AKOS008965270;SB62310;AS-10090;A7549;CS-0313510;FT-0605630;H0827

Chemical Property of 1-(3-Hydroxypropyl)pyrrole

Chemical Property:

• Refractive Index: 1.5100-1.5130
• Boiling Point: 231 °C / 743mmHg
• PKA: 14.66±0.10(Predicted)
• Flash Point: 96.534oC
• PSA: 25.16000
• Density: 1,04 g/cm3
• LogP: 0.87050
• Storage Temp.: 0-10°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 125.084063974
• Heavy Atom Count: 9
• Complexity: 69.3

Purity/Quality:

98% ^*data from raw suppliers

3-(1H-Pyrrol-1-yl)propan-1-ol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=C1)CCCO

Technology Process of 1-(3-Hydroxypropyl)pyrrole

There total 8 articles about 1-(3-Hydroxypropyl)pyrrole 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: 96.0%

N-(2-carboxyethyl)pyrrole (89059-06-3) → 3-pyrrol-1-yl-propan-1-ol (50966-69-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1016/S0957-4166(99)00332-8

Reference yield: 86.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + propan-1-ol-3-amine (156-87-6) → 3-pyrrol-1-yl-propan-1-ol (50966-69-3)

Guidance literature:

With water; at 140 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1039/b900784a

Reference yield: 86.0%

→ 3-pyrrol-1-yl-propan-1-ol (50966-69-3)

Guidance literature:

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

propan-1-ol-3-amine

potassium pyrrolide

1-chloro-3-hydroxypropane

Downstream raw materials:

toluene-4-sulfonic acid-3-pyrrol-1-yl-propyl ester

4-(3-pyrrol-1-ylpropoxy)phthalonitrile

3-benzoyl-benzoic acid 3-pyrrol-1-yl-propyl ester

Ni(C₂₀H₈N₄(C₆F₄O(CH₂)3NC₄H₄)(C₆F₅)3)