ChemicalBook > CAS DataBase List > Hydrazinecarboxylic acid, 1-(2-propenyl)-, 1,1-diMethylethyl ester

Hydrazinecarboxylic acid, 1-(2-propenyl)-, 1,1-diMethylethyl ester

Product Name: Hydrazinecarboxylic acid, 1-(2-propenyl)-, 1,1-diMethylethyl ester
CAS No.: 21075-86-5
Chemical Name: Hydrazinecarboxylic acid, 1-(2-propenyl)-, 1,1-diMethylethyl ester
Synonyms: EOS-61126;MK-1755 intermediate 1;1-Boc-1-allylhydrazine;tert-butyl 1-allylhydrazinecarboxylate;1-allyl-1-tert-butoxycarbonylhydrazine;tert-butyl1-allylhydrazine-1-carboxylate;(Tert-Butoxy)-N-(Prop-2-en-1-yl)Carbohydrazide;2-Methyl-2-propanyl 1-allylhydrazinecarboxylate;N-Allyl-hydrazinecarboxylic acid tert-butyl ester;tert-Butyl 1-allylhydrazinecarboxylate,98% (stabilized with MEHQ)
CBNumber: CB72560976
Molecular Formula: C8H16N2O2
Formula Weight: 172.22
MOL File: 21075-86-5.mol

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Hydrazinecarboxylic acid, 1-(2-propenyl)-, 1,1-diMethylethyl ester Property

Boiling point:: 225.8±33.0 °C(Predicted)
Density: 1.012±0.06 g/cm3(Predicted)
storage temp.: 2-8°C(protect from light)
pka: 2.81±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C8H16N2O2/c1-5-6-10(9)7(11)12-8(2,3)4/h5H,1,6,9H2,2-4H3
InChIKey: ZTWGIZOCAXOUOE-UHFFFAOYSA-N
SMILES: N(C(OC(C)(C)C)=O)(CC=C)N

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Safety

HS Code: 2928009090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H227Combustible liquid

H302Harmful if swallowed

Precautionary statements

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

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N-Bromosuccinimide Price

TRC

Product number: T205730
Product name: tert-Butyl1-Allylhydrazinecarboxylate
Packaging: 50mg
Price: $65
Updated: 2021/12/16

Ark Pharm

Product number: AK-79800
Product name: tert-Butyl1-allylhydrazinecarboxylate
Purity: 97%
Packaging: 100mg
Price: $11
Updated: 2021/12/16

ChemScene

Product number: CS-M1025
Product name: tert-butyl1-allylhydrazinecarboxylate
Packaging: 100mg
Price: $14
Updated: 2021/12/16

ChemScene

Product number: CS-M1025
Product name: tert-butyl1-allylhydrazinecarboxylate
Packaging: 250mg
Price: $20
Updated: 2021/12/16

Ark Pharm

Product number: AK-79800
Product name: tert-Butyl1-allylhydrazinecarboxylate
Purity: 97%
Packaging: 1g
Price: $47
Updated: 2021/12/16

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Hydrazinecarboxylic acid, 1-(2-propenyl)-, 1,1-diMethylethyl ester Chemical Properties,Usage,Production

Synthesis

287729-03-7

21075-86-5

The general procedure for the synthesis of tert-butyl 1-allylhydrazinecarboxylate from tert-butyl allyl(1,3-dioxoisoindolin-2-yl)carbamate was as follows: to a solution of tert-butyl allyl(1,3-dioxoisoindolin-2-yl)carbamate (15.6 g, 51.5 mmol) in THF (100 mL) cooled in an ice bath was slowly added methyl hydrazine ( 3.40 mL, 64.3 mmol). The reaction mixture was gradually warmed to room temperature and stirred continuously for 18 hours. Upon completion of the reaction, the resulting white suspension was filtered and the filtrate was concentrated under reduced pressure. A solvent mixture of hexane and EtOAc (3:1, v/v) was added to the concentrate and the resulting precipitate was removed by filtration. After this purification process was repeated twice, the final filtrate was concentrated to give tert-butyl 1-allylhydrazinecarboxylate as a light yellow oil (8.47 g, 49.2 mmol, 96% yield). Thin layer chromatography (TLC) analysis showed an Rf value of 0.22 (unfolding agent ratio 4:1 hexane:EtOAc). Infrared spectroscopy (IR) showed characteristic absorption peaks (cm-1) of 3336, 2977, 2932, 1690. nuclear magnetic resonance hydrogen spectroscopy (1H NMR, 400 MHz, DMSO-d6) showed δ 1.40 (9H, s, -C(CH3)3), 3.85 (2H, ddd, J = 5.5, 1.4, 1.4 Hz, N-CH2). 4.46 (2H, s, NH2), 5.06-5.09 (1H, m, allyl C-Htrans), 5.11 (1H, br, allyl C-Hcis), 5.74-5.86 (1H, m, allyl CH). Nuclear magnetic resonance carbon spectrum (13C NMR, 125 MHz, DMSO-d6) showed δ 28.5 (C(CH3)3), 53.6 (N-CH2), 79.4 (C(CH3)3), 116.2 (allyl-CH2), 134.6 (allyl-CH), 156.5 (C=O).

References

[1] ChemMedChem, 2018, vol. 13, # 16, p. 1681 - 1694
[2] Patent: WO2017/75629, 2017, A2. Location in patent: Page/Page column 33
[3] Tetrahedron Letters, 2000, vol. 41, # 2, p. 205 - 207
[4] Journal of Organic Chemistry, 2000, vol. 65, # 14, p. 4370 - 4374
[5] Patent: US2007/254892, 2007, A1. Location in patent: Page/Page column 30

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View Lastest Price from Hydrazinecarboxylic acid, 1-(2-propenyl)-, 1,1-diMethylethyl ester manufacturers

Career Henan Chemical Co

Product: Hydrazinecarboxylic acid, 1-(2-propenyl)-, 1,1-diMethylethyl ester 21075-86-5
Price: US $5.50/KG
Min. Order: 1KG
Purity: 98%min
Supply Ability: 1kg-100kg
Release date: 2020-01-10

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21075-86-5