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
Characterization of volatile organic compounds in smoke at municipal structural fires.	2001 Jul 20	11482799
Characterization of volatile organic compounds in smoke at experimental fires.	2001 Jun 8	11405415
Photofragment translational spectroscopy of 1,3-butadiene and 1,3-butadiene-1,1,4,4-d(4) at 193 nm.	2002 Aug 28	12188686
Impact of mobility on structure-based drug design for the MMPs.	2002 Oct 30	12392402
Acyclic nucleoside analogues as novel inhibitors of human mitochondrial thymidine kinase.	2002 Sep 12	12213066
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 Feb 3	12569465
2'-deoxycytidines carrying amino and thiol functionality: synthesis and incorporation by Vent (exo-) polymerase.	2004 Feb 19	14961605
Highly active trialkoxymolybdenum(VI) alkylidyne catalysts synthesized by a reductive recycle strategy.	2004 Jan 14	14709099
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 Jun 21	15214071
Pyrrolyl substituted allenylidene complexes of ruthenium.	2004 Oct 21	15483711
Regioselective samarium diiodide induced couplings of carbonyl compounds with 1,3-diphenylallene and alkoxyallenes: a new route to 4-hydroxy-1-enol ethers.	2004 Oct 25	15372682
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 Sep 6	15352110
Photodissociation dynamics of 1,2-butadiene at 157 nm.	2004 Sep 8	15332900
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 Apr 21	15824785
A study of the unimolecular dissociation of the 2-buten-2-yl radical via the 193 nm photodissociation of 2-chloro-2-butene.	2005 Jul 28	16833987
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 Mar 17	16838990
Dissociation channels of the 1-buten-2-yl radical and its photolytic precursor 2-bromo-1-butene.	2005 May 12	16833726
Highly active Au(I) catalyst for the intramolecular exo-hydrofunctionalization of allenes with carbon, nitrogen, and oxygen nucleophiles.	2006 Jul 19	16834380
Facile formation of a persistent butadien-2-yl cation stabilized by hyperconjugation with an Al-C bond.	2006 Jun 26	16741911
An experimental electron density study on "1-zirconacyclopent-3-yne".	2006 Mar 21	16518501
Synthesis and antiproliferative activity in vitro of diacetylenic thioquinolines.	2006 Sep	17020147
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
Calculational and experimental investigations of the pressure effects on radical-radical cross combination reactions: C2H5+C2H3.	2007 Jul 26	17585737
[d4U]-butyne-[HI-236] as a non-cleavable, bifunctional NRTI/NNRTI HIV-1 reverse-transcriptase inhibitor.	2007 May 1	17317163
Electrospun nitrocellulose and nylon: design and fabrication of novel high performance platforms for protein blotting applications.	2007 Oct 10	18271978
C-2-aryl O-substituted HI-236 derivatives as non-nucleoside HIV-1 reverse-transcriptase inhibitors.	2008 Dec 15	18996020
Synthesis and antiproliferative activity in vitro of novel (2-butynyl)thioquinolines.	2008 Sep 1	18682326
Palladium-catalyzed cross-couplings of 1,3-butadien-2-yl species with organoindiums generated from allenylmethyl bromide and indium.	2009 Apr 14	19319430
[(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 Aug 1	19525112
Reaction mechanism of palladium-catalyzed silastannation of allenes by density functional theory.	2009 Jul 15	19090577
Identification of pro-angiogenic markers in blood vessels from stroked-affected brain tissue using laser-capture microdissection.	2009 Mar 17	19292924
Glycosylation using unprotected alkynyl donors.	2009 Nov 6	19827757
Diamine-based human histamine H3 receptor antagonists: (4-aminobutyn-1-yl)benzylamines.	2009 Oct	19524331
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 Oct 30	19760643
Cleavage of both C(sp3)-C(sp2) bonds of alkylidenecyclopropanes: formation of ethylene-osmium-vinylidene complexes.	2010 Jan 20	20017552
Ultraviolet photochemistry of buta-1,3- and buta-1,2-dienes: laser spectroscopic absolute hydrogen atom quantum yield and translational energy distribution measurements.	2010 Jul 14	20632756
Type II isopentenyl diphosphate isomerase: probing the mechanism with alkyne/allene diphosphate substrate analogues.	2010 Jul 27	20560533
Ab initio/RRKM-ME study on the mechanism and kinetics of the reaction of phenyl radical with 1,2-butadiene.	2010 Jul 29	20593856

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:15:07 GMT 2023` Edited by `admin` on `Fri Dec 15 19:15:07 GMT 2023`
Record UNII	2AZI943A8R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2-BUTADIENE

Systematic Name

English

ALLENE, METHYL-

Systematic Name

English

1-METHYLALLENE

Systematic Name

English

1,2-BUTADIENE [HSDB]

Common Name

English

Code System Code Type Description

HSDB

5705