49637-21-0

Basic information

• Product Name: 4-PYRROLIDIN-1-YL-BUTYRIC ACID HYDROCHLORIDE
• Synonyms: 4-PYRROLIDIN-1-YL-BUTYRIC ACID HYDROCHLORIDE;PYRROLIDIN-1-YLBUTANOIC ACID HYDROCHLORIDE;4-(Pyrrolidin-1-yl)butanoic acid hydrochloride;4-(1-pyrrolidinyl)butanoic acid hydrochloride
• CAS NO: 49637-21-0
• Molecular Formula: C₈H₁₅NO₂*ClH
• Molecular Weight: 193.67
• Mol File: 49637-21-0.mol
• Article Data: 9

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-PYRROLIDIN-1-YL-BUTYRIC ACID HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-PYRROLIDIN-1-YL-BUTYRIC ACID HYDROCHLORIDE(49637-21-0)
• EPA Substance Registry System: 4-PYRROLIDIN-1-YL-BUTYRIC ACID HYDROCHLORIDE(49637-21-0)

Safety Data

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39
• HazardClass: IRRITANT
• Hazardous Substances Data: 49637-21-0(Hazardous Substances Data)

Usage

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.

Upstream product

• 123-75-1 pyrrolidine 
• 14273-85-9 methyl 4-iodobutanoate 
• 627-00-9 γ-chlorobutyric acid 
• 22041-25-4 (pyrrolidinyl-1)-4 butanoate d'ethyle 

Relevant articles and documents

Oxidant-free conversion of cyclic amines to lactams and H2 using water as the oxygen atom source

Direct conversion of cyclic amines to lactams utilizing water as the only reagent is catalyzed by pincer complex 2. In contrast to previously known methods of amine-to-amide conversion, this reaction occurs in the absence of oxidants and is accompanied by liberation of H2, with water serving as a source of oxygen atom. Formation of a cyclic hemiaminal intermediate plays a key role in enabling such reactivity. This represents an unprecedented, conceptually new type of amide formation reaction directly from amines and water under oxidant-free conditions.

Differences in proton-proton coupling constants of N+-CH2-CH2 protons of some betaines, N+-(CH2)2-3-COO-, and their complexes in aqueous solution

Synthesis and 1H NMR spectra in D2O of 4 betaines and 19 betaine complexes with mineral acids containing 2 or 3 CH2 groups in the tether, N+-(CH2)n-COO-, n=2,3, and diverse volume of the positively charged groups are reported. In compounds containing three CH2 groups in the tether and three substituents at the nitrogen atom or α, α′-disubstituted pyridine ring, a characteristic multiplet for an AA′MM′X2 spin system is observed. This is consistent with preference for trans conformation (68-85%). In the spectra of compounds with two CH2 groups in the tether or three CH2 groups and unsubstituted pyridine ring, the multiplet changes to a triplet and gives apparent A2X2 and A2M2X2 spectra, respectively, consistent with no significant conformational preference. Both the number of CH2 groups in tether and the bulkiness of the charged groups are responsible for the observed differences of N+CH2 multiplicity and reflect changes in conformational preferences. According to the PM3 calculations, in the gas phase a gauche-like conformer is more stable than the trans, but in aqueous solution it is reverse.

Heterocyclic esters of alkylphenyl benzopyrans

Heterocyclic esters of benzopyrans represented by the formula STR1 wherein n is 1 or 2; each R and R1 are the same or different members of the group consisting of hydrogen or loweralkyl; R2 is loweralkyl; R3 is STR2 WITH Y