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ISOPROPYL NITRITE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 541-42-4 Structure
  • Basic information

    1. Product Name: ISOPROPYL NITRITE
    2. Synonyms: ISOPROPYL NITRITE;Isopropyl nitritel;1-Methyl ethyl ester nitrous acid;1-methylethylnitrite;2-propanolnitrite;isopropylesterkyselinydusite;nitrousacid,1-methylethylester;nitrousacid,isopropylester
    3. CAS NO:541-42-4
    4. Molecular Formula: C3H7NO2
    5. Molecular Weight: 89.09
    6. EINECS: 208-779-0
    7. Product Categories: N/A
    8. Mol File: 541-42-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 39℃
    3. Flash Point: -37℃
    4. Appearance: Gray yellow oily liquid
    5. Density: 1.02
    6. Vapor Pressure: 458mmHg at 25°C
    7. Refractive Index: nD20 1.3520
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: ISOPROPYL NITRITE(CAS DataBase Reference)
    11. NIST Chemistry Reference: ISOPROPYL NITRITE(541-42-4)
    12. EPA Substance Registry System: ISOPROPYL NITRITE(541-42-4)
  • Safety Data

    1. Hazard Codes: O,T
    2. Statements: 8-11-23/24/25-36/37/38
    3. Safety Statements: 17-26-36/37/39-45
    4. RIDADR: 1992
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: 3.1
    8. PackingGroup: I
    9. Hazardous Substances Data: 541-42-4(Hazardous Substances Data)

541-42-4 Usage

Uses

Isopropyl nitrite is used in the preparation of heterocyclic amides as RIP1 kinase inhibitors.

Check Digit Verification of cas no

The CAS Registry Mumber 541-42-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,4 and 1 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 541-42:
(5*5)+(4*4)+(3*1)+(2*4)+(1*2)=54
54 % 10 = 4
So 541-42-4 is a valid CAS Registry Number.
InChI:InChI=1/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3

541-42-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name Isopropyl Nitrite

1.2 Other means of identification

Product number -
Other names Isopropyl nitrite

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:541-42-4 SDS

541-42-4Synthetic route

isopropyl alcohol
67-63-0

isopropyl alcohol

i-propyl nitrite
541-42-4

i-propyl nitrite

Conditions
ConditionsYield
With sulfuric acid; sodium nitrite In dichloromethane; water at 15℃; for 1h;84%
With nitrogen(II) oxide; Nitrogen dioxide at -5 - 30℃; for 0.5 - 1.5h; Product distribution / selectivity;52%
With tert.-butylnitrite In chloroform at 26℃; Equilibrium constant;
2-iodo-propane
75-30-9

2-iodo-propane

A

i-propyl nitrite
541-42-4

i-propyl nitrite

B

2-nitropropane
79-46-9

2-nitropropane

Conditions
ConditionsYield
With silver(I) nitrite
isobutyric acid sodium salt
996-30-5

isobutyric acid sodium salt

i-propyl nitrite
541-42-4

i-propyl nitrite

Conditions
ConditionsYield
With sodium nitrate; sodium carbonate Electrolysis.an einer Platinanode;
isopropyl bromide
75-26-3

isopropyl bromide

A

i-propyl nitrite
541-42-4

i-propyl nitrite

B

2-nitropropane
79-46-9

2-nitropropane

Conditions
ConditionsYield
With silver(I) nitrite
propane
74-98-6

propane

A

i-propyl nitrite
541-42-4

i-propyl nitrite

B

n-propyl nitrite
543-67-9

n-propyl nitrite

C

isopropyl nitrate
1712-64-7

isopropyl nitrate

D

propyl nitrate
627-13-4

propyl nitrate

E

2-nitropropane
79-46-9

2-nitropropane

F

1-Nitropropane
108-03-2

1-Nitropropane

Conditions
ConditionsYield
With dihydrogen peroxide; Nitrogen dioxide at 24.9℃; under 300.02 Torr; Rate constant; Product distribution; Mechanism; boric-acid-coated surface; various pressure and carrier-gas composition;A 12 % Chromat.
B 7 % Chromat.
C 16 % Chromat.
D 5 % Chromat.
E 46 % Chromat.
F 14 % Chromat.
propane
74-98-6

propane

A

i-propyl nitrite
541-42-4

i-propyl nitrite

B

isopropyl nitrate
1712-64-7

isopropyl nitrate

C

propyl nitrate
627-13-4

propyl nitrate

D

2-nitropropane
79-46-9

2-nitropropane

E

1-Nitropropane
108-03-2

1-Nitropropane

F

acetone
67-64-1

acetone

Conditions
ConditionsYield
With dihydrogen peroxide; oxygen; Nitrogen dioxide at 24.9℃; under 300.02 Torr; Rate constant; Product distribution; Mechanism; boric-acid-coated surface; various O2 concn.;
tert.-butylnitrite
540-80-7

tert.-butylnitrite

isopropyl alcohol
67-63-0

isopropyl alcohol

A

i-propyl nitrite
541-42-4

i-propyl nitrite

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In chloroform at 25℃; Equilibrium constant;
nitromethane
75-52-5

nitromethane

isopropyl alcohol
67-63-0

isopropyl alcohol

A

2,3-dimethyl-2,3-butane diol
76-09-5

2,3-dimethyl-2,3-butane diol

B

i-propyl nitrite
541-42-4

i-propyl nitrite

C

cis nitrosomethane dimer
2717-67-1, 17606-84-7, 37765-15-4

cis nitrosomethane dimer

D

trans-nitrosomethane dimer
2717-67-1, 17606-84-7, 37765-15-4

trans-nitrosomethane dimer

E

acetone
67-64-1

acetone

F

2-hydroxy-2-propyl-azodioxymethane

2-hydroxy-2-propyl-azodioxymethane

Conditions
ConditionsYield
at 18℃; Product distribution; Mechanism; Quantum yield; Irradiation; var. wavelenghts, var. irradiation time;
methyl nitrite
624-91-9

methyl nitrite

isopropyl alcohol
67-63-0

isopropyl alcohol

A

methanol
67-56-1

methanol

B

i-propyl nitrite
541-42-4

i-propyl nitrite

Conditions
ConditionsYield
In acetonitrile at 25℃; Equilibrium constant;
2-propoxy radical
3958-66-5

2-propoxy radical

i-propyl nitrite
541-42-4

i-propyl nitrite

Conditions
ConditionsYield
With nitrogen(II) oxide at 288℃; under 50 Torr; Kinetics; Further Variations:; Temperatures; Pressures; Addition; Photolysis;
isopropyl bromide
75-26-3

isopropyl bromide

silver nitrite

silver nitrite

A

i-propyl nitrite
541-42-4

i-propyl nitrite

B

2-nitropropane
79-46-9

2-nitropropane

Conditions
ConditionsYield
Product distribution;
benzophenone
119-61-9

benzophenone

isopropyl alcohol
67-63-0

isopropyl alcohol

nitrogen monooxide

nitrogen monooxide

A

i-propyl nitrite
541-42-4

i-propyl nitrite

B

acetone
67-64-1

acetone

C

nitrogen

nitrogen

D

dinitrogen monooxide

dinitrogen monooxide

Conditions
ConditionsYield
at 25℃; bei der Einw. von UV-Licht (λ= 366 nm).Irradiation;
2-iodo-propane
75-30-9

2-iodo-propane

silver nitrite

silver nitrite

A

i-propyl nitrite
541-42-4

i-propyl nitrite

B

2-nitropropane
79-46-9

2-nitropropane

Conditions
ConditionsYield
Product distribution;
i-propyl nitrite
541-42-4

i-propyl nitrite

N-ethyl-N-(2-hydroxyethyl)-3-methylaniline
91-88-3

N-ethyl-N-(2-hydroxyethyl)-3-methylaniline

2-[(4-amino-3-methylphenyl)(ethyl)amino]ethanol sulfate
25646-77-9

2-[(4-amino-3-methylphenyl)(ethyl)amino]ethanol sulfate

Conditions
ConditionsYield
With sulfuric acid; palladium-carbon In ethanol; isopropyl alcohol100%
i-propyl nitrite
541-42-4

i-propyl nitrite

Triisopropyl borate
5419-55-6

Triisopropyl borate

2-bromo-p-toluidine
583-68-6

2-bromo-p-toluidine

A

2-bromo-4-methylbenzenediazonium tetrafluoborate

2-bromo-4-methylbenzenediazonium tetrafluoborate

B

3-bromo-4-fluorotoluene
452-62-0

3-bromo-4-fluorotoluene

Conditions
ConditionsYield
With hydrogen fluoride In isopropyl alcoholA n/a
B 92.4%
i-propyl nitrite
541-42-4

i-propyl nitrite

acetone
67-64-1

acetone

Conditions
ConditionsYield
With dimethyl sulfoxide at 70℃; for 6h;85.44%
i-propyl nitrite
541-42-4

i-propyl nitrite

(-)-(6S,7R)-3-methyl-8-oxo-7-phenoxyacetamido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
182268-24-2

(-)-(6S,7R)-3-methyl-8-oxo-7-phenoxyacetamido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Benzhydrylamine
91-00-9

Benzhydrylamine

Diphenylmethyl 3-methyl-7β-phenoxyacetamidoceph-3-em-4-carboxylate

Diphenylmethyl 3-methyl-7β-phenoxyacetamidoceph-3-em-4-carboxylate

Conditions
ConditionsYield
In ethyl acetate; acetonitrile82.6%
tetrachlorosilane
10026-04-7, 53609-55-5

tetrachlorosilane

i-propyl nitrite
541-42-4

i-propyl nitrite

Tetraisopropoxysilan
1992-48-9

Tetraisopropoxysilan

Conditions
ConditionsYield
at 20-25°C;;80%
at 20-25°C;;80%
i-propyl nitrite
541-42-4

i-propyl nitrite

acetophenone
98-86-2

acetophenone

oxo-phenyl-acetaldehyde oxime
532-54-7

oxo-phenyl-acetaldehyde oxime

Conditions
ConditionsYield
With hydrogenchloride In diethyl ether Reflux;78.2%
i-propyl nitrite
541-42-4

i-propyl nitrite

anthranilic acid
118-92-3

anthranilic acid

3,5-dichlorobenzoic acid
51-36-5

3,5-dichlorobenzoic acid

Conditions
ConditionsYield
With chlorine In hydrogenchloride; ethanol; water75%
i-propyl nitrite
541-42-4

i-propyl nitrite

2-(2-alyloxyphenyl)-4,4,5-trimethyl-4H-imidazol-3-oxide
1218942-58-5

2-(2-alyloxyphenyl)-4,4,5-trimethyl-4H-imidazol-3-oxide

4,4-dimethyl-2-(2-allyloxyphenyl)-5-carbaldoxime-4H-imidazole-3-oxide
1218942-60-9

4,4-dimethyl-2-(2-allyloxyphenyl)-5-carbaldoxime-4H-imidazole-3-oxide

Conditions
ConditionsYield
With sodium isopropylate In isopropyl alcohol at 20℃; for 24h;75%
cephalothin

cephalothin

i-propyl nitrite
541-42-4

i-propyl nitrite

Benzhydrylamine
91-00-9

Benzhydrylamine

Diphenylmethyl 3-acetoxymethyl-7β-(2-Thienylacetamido)ceph-3-em-4-carboxylate

Diphenylmethyl 3-acetoxymethyl-7β-(2-Thienylacetamido)ceph-3-em-4-carboxylate

Conditions
ConditionsYield
In chloroform; ISOPROPYLAMIDE; acetonitrile73.5%
i-propyl nitrite
541-42-4

i-propyl nitrite

para-bromoacetophenone
99-90-1

para-bromoacetophenone

α-chloro-α-isonitroso-4-bromoacetophenone
7733-43-9

α-chloro-α-isonitroso-4-bromoacetophenone

Conditions
ConditionsYield
With hydrogenchloride65%
i-propyl nitrite
541-42-4

i-propyl nitrite

acetophenone
98-86-2

acetophenone

N-hydroxy-2-oxo-2-phenylethanimidoyl chloride
4937-87-5

N-hydroxy-2-oxo-2-phenylethanimidoyl chloride

Conditions
ConditionsYield
With hydrogenchloride52%
i-propyl nitrite
541-42-4

i-propyl nitrite

1-(4-methoxyphenyl)ethanone
100-06-1

1-(4-methoxyphenyl)ethanone

α-chloro-α-oximino-p-methoxyacetophenone
33108-93-9

α-chloro-α-oximino-p-methoxyacetophenone

Conditions
ConditionsYield
With hydrogenchloride51%
cephalothin

cephalothin

furan-2-ylmethanamine
617-89-0

furan-2-ylmethanamine

i-propyl nitrite
541-42-4

i-propyl nitrite

2-Furylmethyl 3-acetoxymethyl-7β-(2-thienylacetamido) ceph-3-em-4-carboxylate

2-Furylmethyl 3-acetoxymethyl-7β-(2-thienylacetamido) ceph-3-em-4-carboxylate

Conditions
ConditionsYield
In ISOPROPYLAMIDE; ethyl acetate; acetonitrile46%
2-Acetylthiophene
88-15-3

2-Acetylthiophene

i-propyl nitrite
541-42-4

i-propyl nitrite

isopropyl alcohol
67-63-0

isopropyl alcohol

A

2-acetylthiophene oxime
1956-45-2, 92313-45-6, 92313-54-7

2-acetylthiophene oxime

B

2-(2,2-diisopropoxyacetyl)thiophene
113311-42-5

2-(2,2-diisopropoxyacetyl)thiophene

Conditions
ConditionsYield
With hydrogenchloride at 70℃; for 1.5h;A n/a
B 25%
i-propyl nitrite
541-42-4

i-propyl nitrite

(4-nitrophenyl)ethanone
100-19-6

(4-nitrophenyl)ethanone

4-Nitro-α-chlor-α-isonitroso-acetophenon
7733-42-8

4-Nitro-α-chlor-α-isonitroso-acetophenon

Conditions
ConditionsYield
With hydrogenchloride18%
i-propyl nitrite
541-42-4

i-propyl nitrite

4-(diethylamino)butan-2-one
3299-38-5

4-(diethylamino)butan-2-one

1-diethylamino-butane-2,3-dione-2-oxime
2840-06-4

1-diethylamino-butane-2,3-dione-2-oxime

Conditions
ConditionsYield
With hydrogenchloride; isopropyl alcohol at 30 - 35℃;
i-propyl nitrite
541-42-4

i-propyl nitrite

4-(diethylamino)butan-2-one
3299-38-5

4-(diethylamino)butan-2-one

1-diethylamino-butane-2,3-dione-2-((E)-oxime ); hydrobromide

1-diethylamino-butane-2,3-dione-2-((E)-oxime ); hydrobromide

Conditions
ConditionsYield
With hydrogen bromide; isopropyl alcohol
i-propyl nitrite
541-42-4

i-propyl nitrite

3,5,6,7-tetrahydro-2H-s-indacen-1-one
14927-64-1

3,5,6,7-tetrahydro-2H-s-indacen-1-one

3,5,6,7-tetrahydro-s-indacene-1,2-dione-2-oxime
117311-11-2

3,5,6,7-tetrahydro-s-indacene-1,2-dione-2-oxime

Conditions
ConditionsYield
With hydrogenchloride
i-propyl nitrite
541-42-4

i-propyl nitrite

4-diethylaminobutan-3-one
90226-41-8

4-diethylaminobutan-3-one

1-diethylamino-butane-2,3-dione-2-((E)-oxime ); hydrochloride
52900-90-0

1-diethylamino-butane-2,3-dione-2-((E)-oxime ); hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; isopropyl alcohol
i-propyl nitrite
541-42-4

i-propyl nitrite

2,3-dihydro-1H-cyclopenta[b]naphthalen-1-one
109341-49-3

2,3-dihydro-1H-cyclopenta[b]naphthalen-1-one

3H-cyclopenta[b]naphthalene-1,2-dione-2-oxime
109726-08-1

3H-cyclopenta[b]naphthalene-1,2-dione-2-oxime

i-propyl nitrite
541-42-4

i-propyl nitrite

propylmagnesium iodide
10557-57-0

propylmagnesium iodide

N,N-di-n-propylhydroxylamine
7446-43-7

N,N-di-n-propylhydroxylamine

Conditions
ConditionsYield
With diethyl ether und Zers. des Reaktionsproduktes mit Eiswasser;
i-propyl nitrite
541-42-4

i-propyl nitrite

diisopropyl sulfite
4773-13-1

diisopropyl sulfite

Conditions
ConditionsYield
With thionyl chloride at 25℃;
i-propyl nitrite
541-42-4

i-propyl nitrite

Tetraisopropoxysilan
1992-48-9

Tetraisopropoxysilan

Conditions
ConditionsYield
With tetrachlorosilane at 20 - 25℃;
i-propyl nitrite
541-42-4

i-propyl nitrite

trans-nitrosomethane dimer
2717-67-1, 17606-84-7, 37765-15-4

trans-nitrosomethane dimer

Conditions
ConditionsYield
at 320℃; durch termische Zersetzung; cis-dimethyl-diazene dioxide;
Irradiation.mit UV-Licht; trans-dimethyl-diazene dioxide;
i-propyl nitrite
541-42-4

i-propyl nitrite

2-nitropropane
79-46-9

2-nitropropane

Conditions
ConditionsYield
beim Erhitzen;
at 125 - 130℃;
i-propyl nitrite
541-42-4

i-propyl nitrite

A

nitrosomethane
865-40-7

nitrosomethane

B

acetaldehyde
75-07-0

acetaldehyde

Conditions
ConditionsYield
mit dem vollen Licht der Quarzquecksilberlampe.Irradiation;
i-propyl nitrite
541-42-4

i-propyl nitrite

A

acetaldehyde
75-07-0

acetaldehyde

B

acetone
67-64-1

acetone

Conditions
ConditionsYield
at 230℃;
i-propyl nitrite
541-42-4

i-propyl nitrite

piperonyl-malonic acid
182246-48-6

piperonyl-malonic acid

3-benzo[1,3]dioxol-5-yl-2-hydroxyimino-propionic acid
114306-04-6

3-benzo[1,3]dioxol-5-yl-2-hydroxyimino-propionic acid

Conditions
ConditionsYield
With hydrogenchloride; diethyl ether

541-42-4Relevant articles and documents

The reactions of N-methylformamide and N,N-dimethylformamide with OH and their photo-oxidation under atmospheric conditions: Experimental and theoretical studies

Bunkan, Arne Joakim C.,Hetzler, Jens,Mikoviny, Tomá?,Wisthaler, Armin,Nielsen, Claus J.,Olzmann, Matthias

, p. 7046 - 7059 (2015)

The reactions of OH radicals with CH3NHCHO (N-methylformamide, MF) and (CH3)2NCHO (N,N-dimethylformamide, DMF) have been studied by experimental and computational methods. Rate coefficients were determined as a function of temperature (T = 260-295 K) and pressure (P = 30-600 mbar) by the flash photolysis/laser-induced fluorescence technique. OH radicals were produced by laser flash photolysis of 2,4-pentanedione or tert-butyl hydroperoxide under pseudo-first order conditions in an excess of the corresponding amide. The rate coefficients obtained show negative temperature dependences that can be parameterized as follows: kOH+MF = (1.3 ± 0.4) × 10-12 exp(3.7 kJ mol-1/(RT)) cm3 s-1 and kOH+DMF = (5.5 ± 1.7) × 10-13 exp(6.6 kJ mol-1/(RT)) cm3 s-1. The rate coefficient kOH+MF shows very weak positive pressure dependence whereas kOH+DMF was found to be independent of pressure. The Arrhenius equations given, within their uncertainty, are valid for the entire pressure range of our experiments. Furthermore, MF and DMF smog-chamber photo-oxidation experiments were monitored by proton-transfer-reaction time-of-flight mass spectrometry. Atmospheric MF photo-oxidation results in 65% CH3NCO (methylisocyanate), 16% (CHO)2NH, and NOx-dependent amounts of CH2NH and CH3NHNO2 as primary products, while DMF photo-oxidation results in around 35% CH3N(CHO)2 as primary product and 65% meta-stable (CH3)2NC(O)OONO2 degrading to NOx-dependent amounts of CH3NCH2 (N-methylmethanimine), (CH3)2NNO (N-nitroso dimethylamine) and (CH3)2NNO2 (N-nitro dimethylamine). The potential for nitramine formation in MF photo-oxidation is comparable to that of methylamine whereas the potential to form nitrosamine and nitramine in DMF photo-oxidation is larger than for dimethylamine. Quantum chemistry supported atmospheric degradation mechanisms for MF and DMF are presented. Rate coefficients and initial branching ratios calculated with statistical rate theory based on molecular data from quantum chemical calculations at the CCSD(T?)-F12a/aug-cc-pVTZ//MP2/aug-cc-pVTZ level of theory show satisfactory agreement with the experimental results. It turned out that adjustment of calculated threshold energies by 0.2 to 8.8 kJ mol-1 lead to agreement between experimental and predicted results.

LIF spectra of n-propoxy and i-propoxy radicals and kinetics of their reactions with O2 and NO2

Mund,Fockenberg,Zellner

, p. 709 - 715 (1998)

Fluorescence excitation spectra of CH3CF2CH2O (n-propoxy) and (CH3)2CHO (i-propoxy) radicals were obtained using a combined laser photolysis/laser-induced fluorescence (LIF) technique and the kinetics of reactions of these radicals with (1) O2 as a function of temperature and with (2) NO2 as a function of pressure have been determined. Propoxy radicals were produced by excimer laser photolysis of the appropriate propyl nitrites at γ=351 nm. The spectra of the (A?←X?) transitions show progressions of the CO-stretching vibration in the electronically excited states with spacings of the bands of (560±10)cm-1 for i-propoxy and (580±10)cm-1 for n-propoxy. Fluorescence spectra taken after excitation in the (4,0) band at λ=340.1 nm (i-propoxy) and in the (1,0) band at λ=342.4 nm (n-propoxy) show progressions of the CO-stretching vibration in the electronic ground state of (900±60) cm-1 for i-propoxy and (1000±50) cm-1 for n-propoxy. The Arrhenius expressions for the ractions of n-propoxy and i-propoxy with O2 have been determined to be k1 (n) = (1.4±0.6)×10-14 exp (-(0.9±0.5) kJ mol-1/RT) cm3 s-1 and kt (i) = (1.0±0.3)×10-14 exp (-(1.8±0.4) kJ mol-1/RT) cm3 s-1 in the range 218-313 K. The rate coefficients for the reactions of NO2 with n-propoxy and i-propoxy at T=296 K were found to be independent of total pressure with k2(n)=(3.6±0.4)×10-14 cm3 s-1 (6.7-53 mbar) and k2(i)=(3.3±0.3)×10-11 cm3 s-1 (6.7-106 mbar). WILEY-VCH Verlag GmbH, 1998.

Highly efficient hydroxylation of gaseous alkanes at reduced temperature catalyzed by cytochrome P450BM3 assisted by decoy molecules

Kawakami, Norifumi,Cong, Zhiqi,Shoji, Osami,Watanabe, Yoshihito

, p. 329 - 334 (2015/05/13)

Cytochrome P450BM3 functions as a small-alkane hydroxylase upon the addition of perfluorocarboxylic acids (PFs) as decoy molecules. The coupling efficiency (product formation rate per NADPH consumption rate) for the hydroxylation of small alkanes was improved by reducing the reaction temperature to 0°C.

A mild and practical synthesis of biphenyl compounds

Liang, Shuang,Cao, Xiaohui,Yan, Xilong,Chen, Ligong

, p. 555 - 556 (2012/10/29)

A mild and practical synthetic route for biphenyls is established. Isopropyl nitrite was prepared from sodium nitrite, isopropanol and hydrochloric acid. The biphenyl compounds were obtained from the diazotisation of aniline derivatives with the generated isopropyl nitrite and the coupling reaction with benzene derivatives in the presence of CuCl as a catalyst in good yields.

Use of perfluorocarboxylic acids to trick cytochrome P450BM3 into initiating the hydroxylation of gaseous alkanes

Kawakami, Norifumi,Shoji, Osami,Watanabe, Yoshihito

supporting information; experimental part, p. 5315 - 5318 (2011/07/09)

It has long been believed that the fatty acid hydroxylase wild-type P450BM3 is unable to oxidize gaseous alkanes. However, the simple addition of a perfluorocarboxylic acid as a dummy substrate to initiate the P450BM3 catalytic cycle enabled the efficient hydroxylation of butane and propane (see picture).

Process for producing nitrite

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Page/Page column 4, (2009/03/07)

A process for producing a nitrite includes allowing a nitrogen oxide to react with an alcohol at a reaction temperature lower than 10° C.

NEW METHOD FOR THE MANUFACTURE OF THERAPEUTIC COMPOUNDS AND COMPOSITIONS, COMPOUNDS AND COMPOSITIONS PRODUCED THEREWHITH, AND THEIR USE

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Page/Page column 26-27, (2008/06/13)

Organic nitrites can be produced from a compound which is a mono/polyhydric alcohol or an aldehyde- or ketone-derivate thereof after de-aeration of the same, using NO gas, and stored in an environment saturated with gaseous NO. Organic nitrites produced according to the invention exhibit less impurities and improved storage stability compared to conventionally produced nitrites. The organic nitrites of the invention can easily be formulated into pharmaceutical compositions and have utility for the treatment of various conditions.

Gas phase kinetics of the reaction system of 2NO2 ? N 2O4 and simple alcohols between 293-358 K

Wojcik-Pastuszka,Gola,Ratajczak

, p. 1301 - 1313 (2007/10/03)

The reversible reactions between nitrogen dioxide and alcohols (CH 3OH, CH3CH2OH, CH3CH 2CH2OH, CH3CHOHCH3) have been studied in the gas phase, using the spectrophotometric method. RONO (R = CH 3, CH3CH2, CH3CH2CH 2, CH3CHCH3) were identified by UV spectra. The equilibrium constants as well as the bimolecular rate constants were determined by computer modeling, using the programme MINICHEM. We calculated the following values for the forward rate constants k3av: (3.0±0.9)×10-18, (8.0±2.4)×10 -18, (5.4±1.6)×10-18, (2.0±0.6) ×10-18 cm3 molec-1 s-1 and the equilibrium constants Kav: 100±30, 40±12, 109±33, 39±12 at 298 K for the reactions with methanol, ethanol, 1-propanol and 2-propanol, respectively. The temperature dependence of the rate constants and the equilibrium constants were studied and it allowed to obtain the activation energy for the forward and for the reverse reaction, as well as thermochemical parameters. The equilibrium constants and the rate constants suggest that symmetrical N2O4 is the reactive species.

Dispersed fluorescence spectroscopy of primary and secondary alkoxy radicals

Jin, Jin,Sioutis, Ilias,Tarczay, Gyoergy,Gopalakrishnan, Sandhya,Bezant, Andrew,Miller, Terry A.

, p. 11780 - 11797 (2008/01/27)

Dispersed fluorescence (DF) spectra of 1-propoxy, 1-butoxy, 2-propoxy, and 2-butoxy radicals have been observed under supersonic jet cooling conditions by pumping different vibronic bands of the B-X laser induced fluorescence excitation spectrum. The DF spectra were recorded for both conformers of 1-propoxy, three conformers of the possible five of 1-butoxy, the one possible conformer of 2-propoxy, and two conformers of the possible three of 2-butoxy. Analysis of the spectra yields the energy separations of the vibrationless levels of the ground X and low-lying A electronic state as well as their vibrational frequencies. In all cases, the vibrational structure of the DF spectra is dominated by a CO stretch progression yielding the vco stretching frequency for the X state and in most cases for the A state. In addition to the experimental work, quantum chemical calculations were carried out to aid the assignment of the vibrational levels of the X state and for some conformers the A state as well. Geometry optimizations of the different conformers of the isomers were performed and their energy differences in the ground states were determined. The results of the calculation of the energy separations of the close-lying X and A states of the different conformations are provided for comparison with the experimental observations.

Atmospheric fate of alkoxy radicals: Branching ratio of evolution pathways for 1-propoxy, 2-propoxy, 2-butoxy and 3-pentoxy radicals

Meunier,Doussin,Chevallier,Durand-Jolibois,Picquet-Varrault,Carlier

, p. 4834 - 4839 (2007/10/03)

As the last step of VOC oxidation in the atmosphere, the evolution of alkoxy radicals determines the nature and the concentration of the secondary compounds formed. Branching ratios between decomposition and reaction with O2 of 1-propoxy, 2-propoxy, 2-butoxy, and 3-pentoxy radicals were measured at room temperature and 1 atm in a simulation chamber using FTIR spectroscopy as an analytical device. The ratio varied depending on the leaving alkyl group and the class of alkoxy. No additional decomposition due to excited radicals was observed. The results could be used directly for tropospheric simulation purposes. Formaldehyde might be a photolytic source of HOx through the production of H and HCO radicals and acetaldehyde is the key precursor of the toxic NOx reservoir, peroxy-acetyl nitrate. In the lower troposphere, 1-propoxy and 2-propoxy radicals react mainly with O2 while decomposition is an important reaction pathway for 2-butoxy and 3-pentoxy. Consequently, C1 and C2 aldehyde production from the two longer chain alkoxys will occur very close to the area of initial VOC oxidation, while for the alkoxys exhibiting a minor decomposition pathway, the formaldehyde or acetaldehyde production will take place after oxidation of all the intermediate secondary compounds, far from the emission area of the primary compound.

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