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Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)

Product Name
Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)
CAS No.
151978-50-6
Chemical Name
Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)
Synonyms
tert-Butyl pent-4-yn-1-ylcarbamate;tert-butyl N-pent-4-ynylcarbamate;N-Boc-4-pentyn-1-amine;N-Boc-5-amino-1-pentyne;N-Boc-4-pentyne-1-aMine;N-Boc-4-pentyne-1-amine;tert-butyl pent-4-ynylcarbamate;tert-Butyl (4-pentynyl)carbamate;N-Boc-4-pentyne-1-amine >=95% (GC);4-Pentynylcarbamic acid tert-butyl ester
CBNumber
CB41068870
Molecular Formula
C10H17NO2
Formula Weight
183.25
MOL File
151978-50-6.mol
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Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI) Property

Boiling point:
267.2±23.0 °C(Predicted)
Density 
0.965±0.06 g/cm3(Predicted)
storage temp. 
Storage temp. 2-8°C
pka
12.61±0.46(Predicted)
form 
Solid
color 
White to off-white
BRN 
6918435
InChI
InChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)
InChIKey
JTPJJKZSKWNWKK-UHFFFAOYSA-N
SMILES
C(OC(C)(C)C)(=O)NCCCC#C
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Safety

Hazard Codes 
C
Risk Statements 
34
Safety Statements 
26-36/37/39-45
RIDADR 
UN 2735PSN1 8 / PGII
WGK Germany 
3
HazardClass 
8
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H314Causes severe skin burns and eye damage

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
778923
Product name
N-Boc-4-pentyne-1-amine
Purity
≥95% (GC)
Packaging
250mg
Price
$170
Updated
2025/07/31
Sigma-Aldrich
Product number
778923
Product name
N-Boc-4-pentyne-1-amine
Purity
≥95% (GC)
Packaging
1g
Price
$1180
Updated
2025/07/31
TRC
Product number
B666505
Product name
N-Boc-4-pentyne-1-amine
Packaging
100mg
Price
$265
Updated
2021/12/16
AK Scientific
Product number
0118AQ
Product name
N-Boc-4-pentyne-1-amine
Packaging
250mg
Price
$329
Updated
2021/12/16
AK Scientific
Product number
0118AQ
Product name
N-Boc-4-pentyne-1-amine
Packaging
1g
Price
$998
Updated
2021/12/16
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Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI) Chemical Properties,Usage,Production

Uses

N-Boc-4-pentyne-1-amine is a PROTAC linker, which refers to the alkyl chain composition. N-Boc-4-pentyne-1-amine can be used in the synthesis of the PROTAC MG-277 (HY-130122)[1]. N-Boc-4-pentyne-1-amine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

reaction suitability

reaction type: click chemistry

Synthesis

24424-99-5

15252-44-5

151978-50-6

Pent-4-yn-1-amine (4.91 g, 59.06 mmol, 1.00 eq.) was dissolved in dichloromethane (40 mL) at 0 °C, followed by triethylamine (8.95 g, 88.45 mmol, 1.50 eq.). A solution of di-tert-butyl dicarbonate (12.88 g, 59.02 mmol, 1.00 eq.) in dichloromethane (20 mL) was added dropwise with stirring. The reaction mixture was gradually warmed to room temperature and stirred at that temperature overnight. Upon completion of the reaction, the mixture was concentrated under reduced pressure and subsequently purified by silica gel column chromatography (eluent: ethyl acetate/petroleum ether from 1:50 to 1:40) to afford N-BOC-4-pentyn-1-amine (4.59 g, 43% yield) as a light yellow oil.

IC 50

Alkyl/ether

References

[1] Yang J, et al. Simple Structural Modifications Converting a Bona fide MDM2 PROTAC Degrader into a Molecular Glue Molecule: A Cautionary Tale in the Design of PROTAC Degraders. J Med Chem. 2019 Oct 21. DOI:10.1021/acs.jmedchem.9b00846

Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI) Preparation Products And Raw materials

Raw materials

Preparation Products

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Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI) Suppliers

China 59 Europe 1 Switzerland 1 United States 7 Global 68
Alfa Chemistry
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View Lastest Price from Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI) manufacturers

Career Henan Chemical Co
Product
Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI) 151978-50-6
Price
US $6.68/KG
Min. Order
1KG
Purity
97%-99%
Supply Ability
1kg-1000kg
Release date
2020-01-10

151978-50-6, Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)Related Search:

pfpat GLUTARYL DICHLORIDE Glutacondianil hydrochloride 4-Pentynoic acid, methyl ester 4-Pentenylboronic acid ETHYL 4-PENTENOATE pent-4-yne-1-sulfonyl chloride PENT-4-YNAL (IN DCM 30% W/W) ethyl pent-4-ynoate Pent-4-yn-1-amine,hydrochloride

  • CarbaMic acid, N-4-pentyn-1-yl-, 1,1-diMethylethyl ester
  • N-Boc-4-pentyne-1-aMine
  • 4-Pentynylcarbamic acid tert-butyl ester
  • Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)
  • N-Boc-5-amino-1-pentyne
  • tert-Butyl (4-pentynyl)carbamate
  • N-Boc-4-pentyne-1-amine >=95% (GC)
  • tert-butyl pent-4-ynylcarbamate
  • N-(Pent-4-ynyl)carbamic acid tert-butyl ester
  • tert-Butyl pent-4-yn-1-ylcarbamate
  • Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester
  • N-(tert-butoxycarbonyl)-pent-4-ynyl-1-amine
  • tert-butyl N-pent-4-ynylcarbamate
  • linker,N Boc 4 pentyne 1 amine,inhibit,molecular,glue,Inhibitor,PROTAC Linkers,alkyl,NBoc4pentyne1amine,chain
  • N-Boc-4-pentyn-1-amine
  • <i>N</i>-Boc-4-pentyne-1-amine
  • 151978-50-6
  • N-BOC