2-Buten-1-ol

Base Information

• Chemical Name: 2-Buten-1-ol
• CAS No.: 4088-60-2
• Molecular Formula: C4H8O
• Molecular Weight: 72.1069
• Hs Code.: 2905290000
• NSC Number: 17480
• UNII: W6GGS58T62
• DSSTox Substance ID: DTXSID30884032
• Nikkaji Number: J1.827I
• Wikidata: Q27292395
• Metabolomics Workbench ID: 46245
• ChEMBL ID: CHEMBL116709
• Mol file: 4088-60-2.mol

Synonyms:4088-60-2;(Z)-But-2-en-1-ol;cis-2-Buten-1-Ol;(Z)-2-Buten-1-ol;2-Buten-1-ol, (2Z)-;2-Buten-1-ol;(2Z)-but-2-en-1-ol;cis-Crotyl Alcohol;2-Buten-1-ol, (Z)-;Crotyl alcohol, (Z)-;(Z)-crotyl alcohol;cis-2-Butenyl alcohol;UNII-W6GGS58T62;W6GGS58T62;Propenylcarbinol;cis-2-Butenol;Trans-but-2-en-1-ol;Z-Crotyl alcohol;(cis)-2-butenol;(cis)-but-2-enol;(cis)-crotyl alcohol;(Z)-but-2-enol;(cis)-2-buten-1-ol;(cis)-2-butenyl alcohol;(2Z)-2-Buten-1-ol;(Z)-CH3CH=CHCH2OH;WLN: Q2U2;CHEMBL116709;2-BUTEN-1-OL, CIS-;DTXSID30884032;NSC17480;NSC-17480;AKOS016009829;CROTYL ALCOHOL (Z)-FORM [MI];CS-0531329;A833079;A848877;J-525030;Q27292395

Chemical Property of 2-Buten-1-ol

Chemical Property:

• Melting Point: 37°C (estimate)
• Refractive Index: 1.4342
• Boiling Point: 91.54°C (estimate)
• PKA: 14.70±0.10(Predicted)
• PSA: 20.23000
• Density: 0.8532
• LogP: 0.55480
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 72.057514874
• Heavy Atom Count: 5
• Complexity: 30.6

Purity/Quality:

99.90% ^*data from raw suppliers

CIS-2-BUTEN-1-OL ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CC=CCO
• Isomeric SMILES: C/C=C\CO

Technology Process of 2-Buten-1-ol

There total 27 articles about 2-Buten-1-ol 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%

methyl propargyl alcohol (764-01-2) → cis-2-buten-1-ol (4088-60-2,542-72-3) + butan-1-ol (71-36-3)

Guidance literature:

With hydrogen; copper-palladium; silica gel; In ethanol; at 25 ℃; under 760 Torr; Kinetics;

DOI:10.1021/jo001246p

Reference yield: 99.0%

methyl propargyl alcohol (764-01-2) → cis-2-buten-1-ol (4088-60-2,542-72-3)

Guidance literature:

With hydrogen; copper-palladium; silica gel; In ethanol; at 25 ℃; under 760.051 Torr;

DOI:10.1021/jo001246p

Reference yield: 91.0%

2,5-dihydrofuran (1708-29-8) → cis-2-buten-1-ol (4088-60-2,542-72-3)

Guidance literature:

With lithium; In various solvent(s); at -78 ℃;

DOI:10.1055/s-1980-29070

upstream raw materials:

4-methyl-2,2-dioxo-1,3,2-dioxathiane

1-methyl-4-nitrosobenzene

(Z)-but-2-enoic acid

methyl propargyl alcohol

Downstream raw materials:

(Z)-1-chloro-2-butene

trans-but-2-enyl chloride

(Z)-crotyl bromide

(2R*,3R*)-2,3-dibromobutan-1-ol

Refernces

• 1、 Kobayashi, Toyohiko,Tsuruta, Haruki. "Reductive Cleavage of 5,6-Dihydro-2H-pyran Derivatives; Facile Synthesis of cis-3-Hexenol". . p. 492 - 493. Retrieved 1980.
• 2、 Disselkamp,Judd,Hart,Peden,Posakony,Bond. "A comparison between conventional and ultrasound-mediated heterogeneous catalysis: Hydrogenation of 3-buten-1-ol aqueous solutions". . p. 347 - 353. Retrieved 2004.
• 3、 Barnes,Zuman. "". . p. 1118. Retrieved 1971.
• 4、 -. "Non-Cryogenic, Ammonia-Free Reduction of Aryl Compounds". . . Retrieved 2022/03/31.
• 5、 Carreira, Erick M.,Diederich, Fran?ois,Fischer, Stefan,Gropp, Cornelius,Husch, Tamara,Trapp, Nils. "Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors". supporting information. . Retrieved 2020/03/13.