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Details

Stereochemistry ACHIRAL
Molecular Formula C4H9NO2
Molecular Weight 103.1198
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERT-BUTYL NITRITE

SMILES

CC(C)(C)ON=O

InChI

InChIKey=IOGXOCVLYRDXLW-UHFFFAOYSA-N
InChI=1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3

HIDE SMILES / InChI

Molecular Formula C4H9NO2
Molecular Weight 103.1198
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Chemoselective nitration of phenols with tert-butyl nitrite in solution and on solid support.
2009-09-17
Gas-phase fragmentation of long-lived cysteine radical cations formed via NO loss from protonated S-nitrosocysteine.
2009-06
First iron-catalyzed synthesis of oximes from styrenes.
2009-04-21
Vibrational analysis of n-butyl, isobutyl, sec-butyl and tert-butyl nitrite.
2007-05
Efficient conversion of aromatic amines into azides: a one-pot synthesis of triazole linkages.
2007-04-26
One-pot synthesis of lactams from cycloalkanes and tert-butyl nitrite by using N-hydroxyphthalimide as key catalyst.
2006-11-20
Synthesis, characterization, and controlled nitric oxide release from S-nitrosothiol-derivatized fumed silica polymer filler particles.
2005-03-15
Synthesis of the lipophilic antifolate piritrexim via a palladium(0)-catalyzed cross-coupling reaction.
2005-02-18
Synthesis and biological evaluation of 2',3'-didehydro-2',3'-dideoxy-9-deazaguanosine, a monophosphate prodrug and two analogues, 2',3'-dideoxy-9-deazaguanosine and 2',3'-didehydro-2',3'-dideoxy-9-deazainosine.
2005
A new route to lactam precursors from cycloalkanes: direct production of nitrosocycloalkanes or cycloalkanone oximes by using tert-butyl nitrite and N-hydroxyphthalimide.
2004-02-20
Nucleic acid related compounds. 116. Nonaqueous diazotization of aminopurine nucleosides. Mechanistic considerations and efficient procedures with tert-butyl nitrite or sodium nitrite.
2002-09-20
Aromatic allylation via diazotization: metal-free C-C bond formation.
2002-09-06
Effects of counter cations of base catalysts on nitrosation mechanisms.
2001-12
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:06:11 GMT 2025
Edited
by admin
on Mon Mar 31 20:06:11 GMT 2025
Record UNII
4780H7U8LU
Record Status Validated (UNII)
Record Version
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Name Type Language
TERT-BUTYL NITRITE
MI  
Systematic Name English
NITROUS ACID 1,1-DIMETHYL ETHYL ESTER
Preferred Name English
TERT-BUTYL NITRITE [MI]
Common Name English
NITROUS ACID, TERT-BUTYL ESTER
Common Name English
.ALPHA.,.ALPHA.-DIMETHYLETHYL NITRITE
Systematic Name English
NITROUS ACID, 1,1-DIMETHYLETHYL ESTER
Common Name English
NITROUS ACID TERT-BUTYL ESTER
Systematic Name English
1,1-DIMETHYLETHYL NITRITE
Systematic Name English
Code System Code Type Description
PUBCHEM
10906
Created by admin on Mon Mar 31 20:06:11 GMT 2025 , Edited by admin on Mon Mar 31 20:06:11 GMT 2025
PRIMARY
CAS
540-80-7
Created by admin on Mon Mar 31 20:06:11 GMT 2025 , Edited by admin on Mon Mar 31 20:06:11 GMT 2025
PRIMARY
FDA UNII
4780H7U8LU
Created by admin on Mon Mar 31 20:06:11 GMT 2025 , Edited by admin on Mon Mar 31 20:06:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID10202316
Created by admin on Mon Mar 31 20:06:11 GMT 2025 , Edited by admin on Mon Mar 31 20:06:11 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-757-0
Created by admin on Mon Mar 31 20:06:11 GMT 2025 , Edited by admin on Mon Mar 31 20:06:11 GMT 2025
PRIMARY
MERCK INDEX
m2856
Created by admin on Mon Mar 31 20:06:11 GMT 2025 , Edited by admin on Mon Mar 31 20:06:11 GMT 2025
PRIMARY Merck Index