2,5-dihydro-1H-pyrrole Hydrochloride

Base Information

• Chemical Name: 2,5-dihydro-1H-pyrrole Hydrochloride
• CAS No.: 63468-63-3
• Molecular Formula: C4H7N.ClH
• Molecular Weight: 105.567
• Hs Code.: 2933990090
• European Community (EC) Number: 809-301-9
• DSSTox Substance ID: DTXSID00470466
• Mol file: 63468-63-3.mol

Synonyms:2,5-dihydro-1H-pyrrole Hydrochloride;63468-63-3;3-Pyrroline hydrochloride;2,5-DIHYDRO-1H-PYRROLE HCL;MFCD09991892;2,5-dihydro-1H-pyrrole;hydrochloride;2,5-Dihydro-1H-pyrrole, HCl;1H-Pyrrole, 2,5-dihydro-, hydrochloride;SCHEMBL504814;DTXSID00470466;GBGHNSYFGCVGDX-UHFFFAOYSA-N;AKOS015900015;AKOS025243929;CS-W016634;AC-22446;DS-12810;SY012047;3-(2-IODOPHENYLAMINO)PROPANOICACID;AM20100570;FT-0646416;P2240;EN300-206299;2,5-Dihydro-1H-pyrrole hydrochloride, AldrichCPR;A802117;J-507346;Z2306624771

Chemical Property of 2,5-dihydro-1H-pyrrole Hydrochloride

Chemical Property:

• Melting Point: 169.5-171.5 ºC
• PSA: 12.03000
• LogP: 1.27660
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 105.0345270
• Heavy Atom Count: 6
• Complexity: 41.6

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dihydro-1H-pyrrole hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCN1.Cl
• Uses: 2,5-Dihydro-1H-pyrrole, HCl

Technology Process of 2,5-dihydro-1H-pyrrole Hydrochloride

There total 10 articles about 2,5-dihydro-1H-pyrrole Hydrochloride 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: 99.0%

cis-3,4-dibromopyrrolidine hydrochloride (77484-76-5) → 2,5-dihydro-1H-pyrrole hydrochloride (63468-63-3)

Guidance literature:

With zinc; In ethanol; for 1.5h; Heating;

Reference yield: 98.0%

→ 2,5-dihydro-1H-pyrrole hydrochloride (63468-63-3)

Guidance literature:

With hydrogenchloride; In dichloromethane; water; ethyl acetate; at 20 ℃; for 12h;

Reference yield: 95.0%

1-benzyl-2,5-dihydro-1H-pyrrole (6913-92-4) → 2,5-dihydro-1H-pyrrole hydrochloride (63468-63-3)

Guidance literature:

With carbonochloridic acid 1-chloro-ethyl ester; In methanol; water; at 0 - 40 ℃; for 2h; Temperature;

upstream raw materials:

<(Z)-4-chloro-2-butenyl>ammonium chloride

cis-3,4-dibromopyrrolidine hydrochloride

diallylamine hydrochloride

ortho-cresol

Downstream raw materials:

1-(6-Bromo-1,3-benzodioxol-5-ylcarbonyl)azacyclopent-3-ene

3-Pyrroline

trans-3,4-dibromopyrrolidine hydrochloride

N-(tert-butoxycarbonyl)-3-pyrroline

Refernces

• 1、 -. "Preparation method of medical intermediate N-BOC-3-pyrroline". Paragraph 0065; 0067; 0069; 0071; 0073; 0075. . Retrieved 2021/07/31.
• 2、 -. "Water soluble homogeneous catalysts that are recoverable by phase selectivity and host-guest interactions". Page/Page column 2. . Retrieved 2020/08/30.