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

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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