1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol

Modify Date: 2026-07-16 08:57:21

1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol Structure
1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol structure
 Common Name 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol
CAS Number 968-63-8 Molecular Weight 291.38700
Density 1.139g/cm3 Boiling Point 475.4ºC at 760mmHg
Molecular Formula C20H21NO Melting Point N/A
MSDS N/A Flash Point 247.8ºC

 Use of 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol


1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol is an anticholinergic agent. 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol has the potential for the research of bronchial asthma[1].

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
Synonym More Synonyms

  Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol is an anticholinergic agent. 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol has the potential for the research of bronchial asthma[1].
Related Catalog
References

[1]. Heuer, Hubert, et al. Synergistic combinations of PAF antagonists and anticholinergic agents as drugs for treatment of bronchial asthma.

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.139g/cm3
Boiling Point 475.4ºC at 760mmHg
Molecular Formula C20H21NO
Molecular Weight 291.38700
Flash Point 247.8ºC
Exact Mass 291.16200
PSA 23.47000
LogP 2.95960
Index of Refraction 1.609
InChIKey LWPXJPFOEPMIRG-UHFFFAOYSA-N
SMILES OC(C#CCN1CCCC1)(c1ccccc1)c1ccccc1

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES0779000
CHEMICAL NAME :
2-Butyn-1-ol, 1,1-diphenyl-4-(1-pyrrolidinyl)-
CAS REGISTRY NUMBER :
968-63-8
BEILSTEIN REFERENCE NO. :
1388528
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H21-N-O
MOLECULAR WEIGHT :
291.42
WISWESSER LINE NOTATION :
T5NTJ A2UU1XQR&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 13,325,1965

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

HS Code 2933990090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
Source: NCGC
External Id: tdp43-p2-repeat
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Butinoline

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What English synonyms does 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol have?
A: English synonyms of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol: Butinoline.
Q: What is the Chinese name of 968-63-8?
A: Chinese name of 968-63-8 is 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol.
Q: What is the polar surface area (PSA) of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
A: Polar surface area (PSA) of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol is 23.47000.
Q: What is the CAS number of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
A: CAS number of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol is 968-63-8.
Q: What is the LogP of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
A: LogP of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol is 2.95960.
Q: What is the molecular formula of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
A: Molecular formula of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol is C20H21NO.
Q: What are the uses of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
A: Main uses of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol: 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol is an anticholinergic agent. 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol has the potential for the research of bronchial asthma[1].
Q: What is the InChIKey of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
A: InChIKey of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol is LWPXJPFOEPMIRG-UHFFFAOYSA-N.
Q: What is the boiling point of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
A: Boiling point of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol is 475.4ºC at 760mmHg.
Q: What is the molecular weight of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
A: Molecular weight of 1,1-diphenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol is 291.38700.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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Chemsrc provides CAS#:968-63-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol>> amp version: 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol

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