4-(Pyrrolidin-1-yl)butanoic acid hydrochloride

Base Information

• Chemical Name: 4-(Pyrrolidin-1-yl)butanoic acid hydrochloride
• CAS No.: 49637-21-0
• Molecular Formula: C8H15NO2.ClH
• Molecular Weight: 193.674
• Hs Code.: 2933990090
• European Community (EC) Number: 837-769-4
• ChEMBL ID: CHEMBL3234353
• DSSTox Substance ID: DTXSID90564742
• Mol file: 49637-21-0.mol

Synonyms:49637-21-0;4-(pyrrolidin-1-yl)butanoic acid hydrochloride;PYRROLIDIN-1-YLBUTANOIC ACID HYDROCHLORIDE;4-Pyrrolidin-1-yl-butyric acid hydrochloride;4-pyrrolidin-1-ylbutanoic acid;hydrochloride;CHEMBL3234353;4-(1-Pyrrolidinyl)butanoic acid hydrochloride;4-Pyrrolidin-1-yl-butyric acid;1-Pyrrolidinebutanoic acid, hydrochloride;SCHEMBL946654;DTXSID90564742;TQP0305;ZEWPJQOFVHRHKN-UHFFFAOYSA-N;BDBM50007935;MFCD06801275;AKOS016904314;BS-38166;gamma-Pyrrolidinobutyric acid hydrochloride;gamma-pyrrolidino-butyric acid hydrochloride;CS-0250576;EN300-51427;G31116;J-524154;4-pyrrolidin-1-yl-butyric acid hydrochloride, AldrichCPR;Z763029994;4-(Pyrrolidin-1-yl)butanoic acid--hydrogen chloride (1/1)

Chemical Property of 4-(Pyrrolidin-1-yl)butanoic acid hydrochloride

Chemical Property:

• PSA: 40.54000
• LogP: 1.68690
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.0869564
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

1-PyrrolidinebutyricAcidHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CCCC(=O)O.Cl
• Uses: 1-Pyrrolidinebutyric Acid Hydrochloride is used in biological studies in the preparation of betaine analogs of mildronate as inhibitors of γ-butyrobetaine hydroxylase, and crystal structures of BBOX-inhibitor complexes.

Technology Process of 4-(Pyrrolidin-1-yl)butanoic acid hydrochloride

There total 5 articles about 4-(Pyrrolidin-1-yl)butanoic acid 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:

pyrrolidine (123-75-1) + methyl 4-iodobutanoate (14273-85-9) → 4-(pyrrolidin-1-yl)butanoic acid hydrochloride (49637-21-0)

Guidance literature:

In benzene;

Reference yield:

(pyrrolidinyl-1)-4 butanoate d'ethyle (22041-25-4) → 4-(pyrrolidin-1-yl)butanoic acid hydrochloride (49637-21-0)

Guidance literature:

(pyrrolidinyl-1)-4 butanoate d'ethyle; With sodium hydroxide; water; for 10h; Heating / reflux;

With hydrogenchloride; In water; at 0 ℃; pH=4;

Reference yield:

pyrrolidine (123-75-1) + methyl δ-iodobutyrate → 4-(pyrrolidin-1-yl)butanoic acid hydrochloride (49637-21-0)

Guidance literature:

With acetic acid; In hydrogenchloride; water; acetone; benzene;

upstream raw materials:

pyrrolidine

γ-chlorobutyric acid

methyl 4-iodobutanoate

(pyrrolidinyl-1)-4 butanoate d'ethyle

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