CAS No.543-27-1,Isobutyl chloroformate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	543-27-1
Name:	Isobutyl chloroformate
Article Data:	27

Formula:	C₅H₉ClO₂
Molecular Weight:	136.578
Synonyms:	Formicacid, chloro-, isobutyl ester (6CI,7CI,8CI);2-Methylpropyl carbonochloridate;2-Methylpropyl chloroformate;Chlorocarbonic acid isobutyl ester;Chloroformicacid isobutyl ester;IBCF;Isobutoxycarbonyl chloride;Isobutylcarbonochloridate;Isobutyl chloridocarbonate;Isobutyl chlorocarbonate;Isobutyl chloroformate;Isobutyloxycarbonyl chloride;NSC 8429;Isobutylchloroformate;
EINECS:	208-840-1
Density:	1.081 g/cm³
Melting Point:	-80 °C
Boiling Point:	130 °C at 760 mmHg
Flash Point:	27.8 °C
Solubility:	Insoluble in water and denser than water
Appearance:	clear liquid
Hazard Symbols:	T
Risk Codes:	10-22-23-34
Safety:	26-36/37/39-45
Transport Information:	UN 3390 6.1/PG 1
PSA:	26.30000
LogP:	2.01780

Synthetic route

: 159013-58-8
(R)-N5-[amino-(nitroimino)-methyl]-N2-(diphenylacetyl)ornithine

N-dimethyl-N'-[4-(aminomethyl) phenyl]urea: N-dimethyl-N'-[4-(aminomethyl) phenyl]urea

A: 164645-67-4
(R)-N5-[amino(nitroimino)methyl]-N-[[4-[[(dimethylamino)carbonyl]amino]phenyl]methyl]-N2-(diphenylacetyl)-ornithinamide

B: 543-27-1
isobutyl chloroformate

Conditions

Conditions	Yield
ammonia	A n/a B 70%

...Expand

: 75-44-5
phosgene

: 78-83-1
2-methyl-propan-1-ol

: 543-27-1
isobutyl chloroformate

Conditions

Conditions	Yield
With chloroform
With quinoline; toluene

: 78-83-1
2-methyl-propan-1-ol

: 32315-10-9
bis(trichloromethyl) carbonate

: 543-27-1
isobutyl chloroformate

Conditions

Conditions	Yield
With sodium carbonate In toluene at 0℃; for 6h;
With pyridine In toluene at 0 - 20℃;

: 78-83-1
2-methyl-propan-1-ol

: 503-38-8
trichloromethyl chloroformate

: 543-27-1
isobutyl chloroformate

Conditions

Conditions	Yield
With dmap In toluene at 20℃; for 24h;

: 613-94-5
benzoic acid hydrazide

: 543-27-1
isobutyl chloroformate

: 128772-88-3
N'-Benzoyl-hydrazinecarboxylic acid isobutyl ester

Conditions

Conditions	Yield
With pyridine In tetrahydrofuran 1) -10 deg C, 30 min, 2) 1 h, room temperature;	100%

: 4530-20-5
BOC-glycine

: 543-27-1
isobutyl chloroformate

: 66866-43-1
N-(t-butoxycarbonyl)glycyl i-butyl carbonate

Conditions

Conditions	Yield
With 4-methyl-morpholine In tetrahydrofuran at -15℃; for 0.0833333h;	100%
With 4-methyl-morpholine In tetrahydrofuran at -20℃; for 0.05h;

: 56675-37-7
(S)-2-tert-butoxycarbonylamino-3-thiophen-2-yl-propionic acid

: 543-27-1
isobutyl chloroformate

: C17H25NO6S

Conditions

Conditions	Yield
With 4-methyl-morpholine In dichloromethane at -10℃; for 0.05h;	100%

: 5680-86-4
N-benzyloxycarbonyl-5-O-benzyl-L-glutamic acid

: 543-27-1
isobutyl chloroformate

: (S)-4-Benzyloxycarbonylamino-5-isobutoxycarbonyloxy-5-oxo-pentanoic acid benzyl ester

Conditions

Conditions	Yield
With 4-methyl-morpholine at -20℃; for 2h;	100%
With 4-methyl-morpholine

: 40204-26-0
malonic acid monobenzyl ester

: 543-27-1
isobutyl chloroformate

: 98442-22-9
Malonic acid benzyl ester isobutyl ester

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 4℃; for 0.5h; Mechanism; isotope labelling method;	100%

: 1164-16-5
Cbz-Tyr-OH

: 543-27-1
isobutyl chloroformate

: 102988-95-4
C22H25NO7

Conditions

Conditions	Yield
With 4-methyl-morpholine In tetrahydrofuran at -15℃; for 0.5h;	100%
With 4-methyl-morpholine In tetrahydrofuran at -15℃; for 0.0166667h;
With 4-methyl-morpholine In tetrahydrofuran at -15℃; for 0.5h;

Raw Materials

32315-10-9

75-44-5

78-83-1

Downstream Products

631-28-7

Total:75 Page 1 of 2 1 2 Next>>

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Specification

The CAS register number of Carbonochloridicacid, 2-methylpropyl ester is 543-27-1. It also can be called as Isobutyl chloroformate and the IUPAC name about this chemical is 2-methylpropyl carbonochloridate. The molecular formula about this chemical is C₅H₉ClO₂and the molecular weight is 136.58. It belongs to the following product categories, such as Organics; Chloroformates; Acid Halides; Carbonyl Compounds; Organic Building Blocks and so on.

Physical properties about Carbonochloridicacid, 2-methylpropyl ester are: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 2.32; (3)ACD/LogD (pH 7.4): 2.32; (4)ACD/BCF (pH 5.5): 34.08; (5)ACD/BCF (pH 7.4): 34.08; (6)ACD/KOC (pH 5.5): 435.07; (7)ACD/KOC (pH 7.4): 435.07; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å²; (11)Index of Refraction: 1.417; (12)Molar Refractivity: 31.79 cm³; (13)Molar Volume: 126.3 cm³; (14)Polarizability: 12.6x10^-24cm³; (15)Surface Tension: 28.4 dyne/cm; (16)Enthalpy of Vaporization: 36.77 kJ/mol; (17)Boiling Point: 130 °C at 760 mmHg; (18)Vapour Pressure: 9.91 mmHg at 25°C.

Uses of Carbonochloridicacid, 2-methylpropyl ester: it can be used to produce phenethyl-carbamic acid isobutyl ester with phenethylamine at ambient temperature. This reaction will need reagent pyridine and solvent CH₂Cl₂ with reaction time of 3 hours.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation and it is harmful if swallowed, it is flammable and it can cause burns. 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 and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)OCC(C)C
(2)InChI: InChI=1/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
(3)InChIKey: YOETUEMZNOLGDB-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
(5)Std. InChIKey: YOETUEMZNOLGDB-UHFFFAOYSA-N