1,2-BUTADIENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H6
Molecular Weight	54.0904
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC=C=C

InChI

InChIKey=QNRMTGGDHLBXQZ-UHFFFAOYSA-N

InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3

HIDE SMILES / InChI

Molecular Formula	C4H6
Molecular Weight	54.0904
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Ab initio/RRKM-ME study on the mechanism and kinetics of the reaction of phenyl radical with 1,2-butadiene.	2010-07-29	20593856
Type II isopentenyl diphosphate isomerase: probing the mechanism with alkyne/allene diphosphate substrate analogues.	2010-07-27	20560533
Ultraviolet photochemistry of buta-1,3- and buta-1,2-dienes: laser spectroscopic absolute hydrogen atom quantum yield and translational energy distribution measurements.	2010-07-14	20632756
Cleavage of both C(sp3)-C(sp2) bonds of alkylidenecyclopropanes: formation of ethylene-osmium-vinylidene complexes.	2010-01-20	20017552
Glycosylation using unprotected alkynyl donors.	2009-11-06	19827757
Adaptation of a proton transfer reaction mass spectrometer instrument to employ NO+ as reagent ion for the detection of 1,3-butadiene in the ambient atmosphere.	2009-10-30	19760643
Diamine-based human histamine H3 receptor antagonists: (4-aminobutyn-1-yl)benzylamines.	2009-10	19524331
[(11)C]PR04.MZ, a promising DAT ligand for low concentration imaging: Synthesis, efficient (11)C-O-methylation and initial small animal PET studies.	2009-08-01	19525112
Reaction mechanism of palladium-catalyzed silastannation of allenes by density functional theory.	2009-07-15	19090577
Palladium-catalyzed cross-couplings of 1,3-butadien-2-yl species with organoindiums generated from allenylmethyl bromide and indium.	2009-04-14	19319430
Identification of pro-angiogenic markers in blood vessels from stroked-affected brain tissue using laser-capture microdissection.	2009-03-17	19292924
C-2-aryl O-substituted HI-236 derivatives as non-nucleoside HIV-1 reverse-transcriptase inhibitors.	2008-12-15	18996020
Synthesis and antiproliferative activity in vitro of novel (2-butynyl)thioquinolines.	2008-09-01	18682326
Electrospun nitrocellulose and nylon: design and fabrication of novel high performance platforms for protein blotting applications.	2007-10-10	18271978
Calculational and experimental investigations of the pressure effects on radical-radical cross combination reactions: C2H5+C2H3.	2007-07-26	17585737
[d4U]-butyne-[HI-236] as a non-cleavable, bifunctional NRTI/NNRTI HIV-1 reverse-transcriptase inhibitor.	2007-05-01	17317163
Indium-mediated selective introduction of a 1,3-butadien-2-yl group at the C4-position in 2-azetidinones and application of 1,3-diene-tethered 2-azetidinones in the Diels-Alder reaction.	2007	17705202
Synthesis and antiproliferative activity in vitro of diacetylenic thioquinolines.	2006-09	17020147
Highly active Au(I) catalyst for the intramolecular exo-hydrofunctionalization of allenes with carbon, nitrogen, and oxygen nucleophiles.	2006-07-19	16834380
Facile formation of a persistent butadien-2-yl cation stabilized by hyperconjugation with an Al-C bond.	2006-06-26	16741911
An experimental electron density study on "1-zirconacyclopent-3-yne".	2006-03-21	16518501
A study of the unimolecular dissociation of the 2-buten-2-yl radical via the 193 nm photodissociation of 2-chloro-2-butene.	2005-07-28	16833987
Dissociation channels of the 1-buten-2-yl radical and its photolytic precursor 2-bromo-1-butene.	2005-05-12	16833726
C-C coupling reactions in the coordination sphere of rhodium(I) and rhodium(III): New routes for the di- and trimerization of terminal alkynes.	2005-04-21	15824785
Mechanistic studies of the pyrolysis of 1,3-butadiene, 1,3-butadiene-1,1,4,4-d4, 1,2-butadiene, and 2-butyne by supersonic jet/photoionization mass spectrometry.	2005-03-17	16838990
Regioselective samarium diiodide induced couplings of carbonyl compounds with 1,3-diphenylallene and alkoxyallenes: a new route to 4-hydroxy-1-enol ethers.	2004-10-25	15372682
Pyrrolyl substituted allenylidene complexes of ruthenium.	2004-10-21	15483711
Photodissociation dynamics of 1,2-butadiene at 157 nm.	2004-09-08	15332900
A new color of the synthetic chameleon methoxyallene: synthesis of trifluoromethyl-substituted pyridinol derivatives: an unusual reaction mechanism, a remarkable crystal packing, and first palladium-catalyzed coupling reactions.	2004-09-06	15352110
Peralkynylated buta-1,2,3-trienes: exceptionally low rotational barriers of cumulenic C=C bonds in the range of those of peptide C--N bonds.	2004-06-21	15214071
2'-deoxycytidines carrying amino and thiol functionality: synthesis and incorporation by Vent (exo-) polymerase.	2004-02-19	14961605
Highly active trialkoxymolybdenum(VI) alkylidyne catalysts synthesized by a reductive recycle strategy.	2004-01-14	14709099
An ab initio/RRKM study of product branching ratios in the photodissociation of buta-1,2- and -1,3-dienes and but-2-yne at 193 nm.	2003-02-03	12569465
Impact of mobility on structure-based drug design for the MMPs.	2002-10-30	12392402
Acyclic nucleoside analogues as novel inhibitors of human mitochondrial thymidine kinase.	2002-09-12	12213066
Photofragment translational spectroscopy of 1,3-butadiene and 1,3-butadiene-1,1,4,4-d(4) at 193 nm.	2002-08-28	12188686
Characterization of volatile organic compounds in smoke at municipal structural fires.	2001-07-20	11482799
Characterization of volatile organic compounds in smoke at experimental fires.	2001-06-08	11405415

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:40:12 GMT 2025` Edited by `admin` on `Mon Mar 31 19:40:12 GMT 2025`
Record UNII	2AZI943A8R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2-BUTADIENE [HSDB]

Preferred Name

English

1,2-BUTADIENE

Systematic Name

English

ALLENE, METHYL-

Systematic Name

English

1-METHYLALLENE

Systematic Name

English

Code System Code Type Description

HSDB

5705