CAS No.193751-54-1,N-1-Boc-amino-3-cyclopentene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	193751-54-1
Name:	N-1-Boc-amino-3-cyclopentene
Article Data:	10

Formula:	C₁₀H₁₇NO₂
Molecular Weight:	183.25
Synonyms:	Carbamicacid, 3-cyclopenten-1-yl-, 1,1-dimethylethyl ester (9CI);tert-Butyl3-cyclopentenylcarbamate;N-1-Boc-amino-3-cyclopentene;tert-Butyl N-(1-cyclopent-3-enyl)carbamate;
Density:	1.014 g/cm³
Boiling Point:	268.877 °C at 760 mmHg
Flash Point:	116.413 °C
Hazard Symbols:	R36/37/38:;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	38.33000
LogP:	2.62060

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Specification

The CAS register number of Carbamic acid,N-3-cyclopenten-1-yl-, 1,1-dimethylethyl ester is 193751-54-1. It also can be called as N-1-Boc-amino-3-cyclopentene and the systematic name about this chemical is tert-butyl cyclopent-3-en-1-ylcarbamate. The molecular formula about this chemical is C₁₀H₁₇NO₂and the molecular weight is 183.25. It belongs to the N-BOC.

Physical properties about Carbamic acid,N-3-cyclopenten-1-yl-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.34; (2)ACD/LogD (pH 5.5): 2.34; (3)ACD/LogD (pH 7.4): 2.34; (4)ACD/BCF (pH 5.5): 35.08; (5)ACD/BCF (pH 7.4): 35.08; (6)ACD/KOC (pH 5.5): 444.2; (7)ACD/KOC (pH 7.4): 444.19; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54Å²; (12)Index of Refraction: 1.483; (13)Molar Refractivity: 51.7 cm³; (14)Molar Volume: 180.7 cm³; (15)Polarizability: 20.49x10^-24cm³; (16)Surface Tension: 34 dyne/cm; (17)Enthalpy of Vaporization: 50.7 kJ/mol; (18)Boiling Point: 268.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00749 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-cyclopenten-1-ylamine hydrochloride. This reaction will need reagent Et₃N, DMAP and solvent CH₂Cl₂. The reaction temperature is 0 - 20 ℃. The yield is about 77%.

Uses of Carbamic acid,N-3-cyclopenten-1-yl-, 1,1-dimethylethyl ester: it can be used to produce N-Boc (1R,3s,5S)-6-oxabicyclo[3.1.0]hexan-3-amine. This reaction will need reagent m-CPBA, NaHCO₃and solvent CH₂Cl₂ with reaction time of 16 hours.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC1C/C=C\C1
(2)InChI: InChI=1/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4-5,8H,6-7H2,1-3H3,(H,11,12)
(3)InChIKey: QPKZZWRUFCUFEI-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4-5,8H,6-7H2,1-3H3,(H,11,12)
(5)Std. InChIKey: QPKZZWRUFCUFEI-UHFFFAOYSA-N