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Details

Stereochemistry ACHIRAL
Molecular Formula C7H9NO
Molecular Weight 123.1525
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TERT-BUTYLCYANOKETENE

SMILES

CC(C)(C)C(=C=O)C#N

InChI

InChIKey=PXMIEOACHDWJQE-UHFFFAOYSA-N
InChI=1S/C7H9NO/c1-7(2,3)6(4-8)5-9/h1-3H3

HIDE SMILES / InChI
Molecular Formula C7H9NO
Molecular Weight 123.1525
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description
Sources: DOI: 10.1021/jo00337a023 | DOI: 10.1021/jo00941a036 | DOI: 10.1021/jo01310a042

tert-Butylcyanoketene reacts with tertiary amines. The reaction of tert-butylcyanoketene with a series of isocyanides results in an unusual mode of addition involving the carbonyl bond of the ketene. tert-Butylcyanoketene cycloadds to ketene, methylketene, dimethylketene, and ethylmethylketene.

Originator

Moore, H.W.|Weyler, Jr.W.
1
Sources: DOI: 10.1021/ja00716a064

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:28:27 GMT 2023
Edited
by admin
on Sat Dec 16 08:28:27 GMT 2023
Record UNII
CL86507V1J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TERT-BUTYLCYANOKETENE
Systematic Name English
(±)-TETRAHYDROPALMATINE
Common Name English
DL-TETRAHYDROPALMATINE
Common Name English
6H-DIBENZO(A,G)QUINOLIZINE, 5,8,13,13A-TETRAHYDRO-2,3,9,10-TETRAMETHOXY-
Systematic Name English
BERBINE, 2,3,9,10-TETRAMETHOXY-, (±)-
Systematic Name English
TETRAHYDROPALMATINE DL-FORM [MI]
Common Name English
CYANO(1,1-DIMETHYLETHYL)KETENE
Systematic Name English
BUTYRONITRILE, 2-CARBONYL-3,3-DIMETHYL-
Systematic Name English
MOORE'S KETENE [MI]
Common Name English
(±)-CORYDALIS B
Common Name English
MOORE'S KETENE
MI  
Common Name English
Code System Code Type Description
MERCK INDEX
m7620
Created by admin on Sat Dec 16 08:28:27 GMT 2023 , Edited by admin on Sat Dec 16 08:28:27 GMT 2023
PRIMARY Merck Index
PUBCHEM
12220312
Created by admin on Sat Dec 16 08:28:27 GMT 2023 , Edited by admin on Sat Dec 16 08:28:27 GMT 2023
PRIMARY
MERCK INDEX
m10630
Created by admin on Sat Dec 16 08:28:27 GMT 2023 , Edited by admin on Sat Dec 16 08:28:27 GMT 2023
PRIMARY Merck Index
MERCK INDEX
m10630
Created by admin on Sat Dec 16 08:28:27 GMT 2023 , Edited by admin on Sat Dec 16 08:28:27 GMT 2023
PRIMARY Merck Index
FDA UNII
CL86507V1J
Created by admin on Sat Dec 16 08:28:27 GMT 2023 , Edited by admin on Sat Dec 16 08:28:27 GMT 2023
PRIMARY
CAS
29342-22-1
Created by admin on Sat Dec 16 08:28:27 GMT 2023 , Edited by admin on Sat Dec 16 08:28:27 GMT 2023
PRIMARY
NIH
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