3,4,5-Trimethoxybenzoyl chloride supplier

Name
3,4,5-Trimethoxybenzoyl chloride
EINECS 224-851-4
CAS No. 4521-61-3
Article Data129
CAS DataBase
Density 1.227 g/cm³
Solubility Soluble in water
Melting Point 77-81 °C
Formula C₁₀H₁₁ClO₄
Boiling Point 314.7 °C at 760 mmHg
Molecular Weight 230.648
Flash Point 141.9 °C
Transport Information UN 3261 8/PG 2
Appearance White crystal
Safety 26-36/37/39-45
Risk Codes 14-34-37
Molecular Structure
Hazard Symbols C
Synonyms 3,4,5-Trimethoxybenzoyl chloride;Tri-O-methylgalloyl chloride;Trimethylgalloyl chloride;NSC 91023;Benzoyl chloride, 3,4,5-trimethoxy-;
PSA 44.76000
LogP 2.09140

Synthetic route

: 118-41-2
Eudesmic acid

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane Heating;	100%
With thionyl chloride In chloroform for 4h; Reflux;	100%
With thionyl chloride In CH2C3 for 3h; Reflux;	100%

: 10026-13-8, 874483-75-7
phosphorus pentachloride

: 118-41-2
Eudesmic acid

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 75-15-0
carbon disulfide

: 10026-13-8, 874483-75-7
phosphorus pentachloride

: 118-41-2
Eudesmic acid

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

...Expand

: 10026-13-8, 874483-75-7
phosphorus pentachloride

: 118-41-2
Eudesmic acid

: 71-43-2
benzene

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

...Expand

: 884-35-5
methyl syringate

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: Bu4NHSO4, K2CO3 / toluene / 6 h / Heating 2: 2M aq. NaOH / various solvent(s) / 0.25 h 3: thionyl chloride / 2 h / Heating View Scheme

: 1916-07-0
3,4,5-trimethoxybenzoic acid methyl ester

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2M aq. NaOH / various solvent(s) / 0.25 h 2: thionyl chloride / 2 h / Heating View Scheme
Multi-step reaction with 2 steps 1: potassium hydroxide / ethanol; water / 3 h / Reflux 2: thionyl chloride / 21 h / 80 °C View Scheme
Multi-step reaction with 2 steps 1: potassium hydroxide / ethanol / 48 h / Reflux 2: thionyl chloride / 4 h / Inert atmosphere; Reflux View Scheme
Multi-step reaction with 2 steps 1: potassium hydroxide / ethanol / 48 h / Reflux 2: thionyl chloride / 4 h / Inert atmosphere; Reflux View Scheme

: 6178-44-5
ethyl 3,4,5-trimethoxybenzoate

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide; ethanol / Inert atmosphere; Schlenk technique 2: thionyl chloride / Inert atmosphere; Schlenk technique View Scheme

: 86-81-7
3,4,5-trimethoxy-benzaldehyde

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: urea hydrogen peroxide adduct / methanol / 1.5 h / Reflux 2: thionyl chloride / N,N-dimethyl-formamide; dichloromethane / 20 °C View Scheme
Multi-step reaction with 2 steps 1: potassium permanganate / water; acetone / 25 °C 2: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 0 - 25 °C / Inert atmosphere View Scheme

: 26864-56-2
penfluridol

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 80458-78-2
1-<4,4-Bis(4-fluorophenyl)butyl>-4-(4-chloro-3-trifluoromethylphenyl)-4-piperidyl 3,4,5-Trimethoxybenzoate

Conditions

Conditions	Yield
In chloroform Ambient temperature; overnight;	100%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 6-Hydroxy-1,3-diphenyl-2,4-dithioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester

: 4-Oxo-1,3-diphenyl-2-thioxo-6-(3,4,5-trimethoxy-benzoylsulfanyl)-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With pyridine; sodium hydroxide In 1,4-dioxane 1.) r.t., 10 min, 2.) 65 deg C - 70 deg C, 3 h;	100%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 294882-34-1
2-(N-formyl)-methylamino-2-phenylbutanol

: 3,4,5-trimethoxy-benzoic acid 2-(formyl-methyl-amino)-2-phenyl-butyl ester

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane Acylation;	100%

: 39687-95-1
isocyanoacetic acid methyl ester

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 38061-20-0
4-methoxycarbonyl-5-(3,4,5-trimethoxyphenyl)-oxazole

Conditions

Conditions	Yield
With P(MeNCH2CH2)3N In tetrahydrofuran 1.) 5 deg C, 15 min, 2.) r.t., 30 min;	99%
With triethylamine

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 334708-34-8
3-iodo-5-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene

: [5-methoxy-2-(4-methoxy-phenyl)-benzo[b]thiophen-3-yl]-(3,4,5-trimethoxy-phenyl)-methanone

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran	99%

: 617-27-6
DL-alanine ethyl ester hydrochloride

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 1423044-62-5
rac-ethyl 2-(3,4,5-trimethoxybenzamido)propanoate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	99%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 27697-60-5
ethyl (3-amino-5-nitrobenzothiophen)-2-carboxylate

: ethyl 3-(3,4,5-trimethoxybenzoylamino)-5-nitrobenzo[b]thiophene-2-carboxylate

Conditions

Conditions	Yield
With pyridine at 20℃; for 12h;	99%

: 18621-18-6
azetion-3-ol hydrochloride

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: (3-hydroxyazetidin-1-yl)(3,4,5-trimethoxyphenyl)methanone

Conditions

Conditions	Yield
Stage #1: azetion-3-ol hydrochloride; 3,4,5-Trimethoxybenzoyl chloride With potassium carbonate In water; ethyl acetate at 20℃; for 16h; Stage #2: With sodium hydroxide In tetrahydrofuran; methanol; water for 20h;	99%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 100-46-9
benzylamine

: 3940-84-9
N-benzyl-3,4,5-trimethoxybenzamide

Conditions

Conditions	Yield
With triethylamine; calcium chloride at 0 - 20℃; for 2h;	98%
With diethyl ether
With TEA In tetrahydrofuran at 20℃;
In dichloromethane at 0℃;

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 135241-35-9
(R)-2-Benzo[1,3]dioxol-5-ylmethyl-piperidine

: 135241-36-0
((R)-2-Benzo[1,3]dioxol-5-ylmethyl-piperidin-1-yl)-(3,4,5-trimethoxy-phenyl)-methanone

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane; water	98%

: 124-09-4
1,6-Hexanediamine

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: C26H36N2O8

Conditions

Conditions	Yield
With potassium carbonate In water; ethyl acetate	98%
With aq. KaCO3 In ethyl acetate

: 41994-51-8
1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ; hydrochloride

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 1262971-70-9
2-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ; hydrochloride With sodium hydroxide In acetone at 20℃; Stage #2: 3,4,5-Trimethoxybenzoyl chloride With sodium hydroxide In acetone at 20℃; pH=> 10; Stage #3: With hydrogenchloride In water pH=5 - 6;	98%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 20728-73-8
5,7,3',4'-tetra-O-benzyl-(+)-catechin

: 1282609-48-6
5,7,3',4'-tetra-O-benzyl-3-O-(3'',4'',5''-trimethoxybenzoyl)-(-)catechin

Conditions

Conditions	Yield
With dmap In dichloromethane at 20℃; for 18h; Inert atmosphere;	98%
With dmap In dichloromethane at 20℃; for 18h;

: 5,6-dihydro-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 1358786-77-2
C20H20N4O4

Conditions

Conditions	Yield
With triethylamine In dichloromethane	98%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 90749-17-0, 79279-08-6
4,4'-dimethoxy-5,6,5',6'-dimethylenedioxy-2,2'-dibenzyl alcohol

: 1377829-18-9
(4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-diyl)-bis(methylene) bis(3,4,5-trimethoxybenzoate)

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	98%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 14687-15-1
methyl L-fucopyranoside

: methyl 3-O-3,4,5-trimethylgalloyl-α-L-fucopyranoside

Conditions

Conditions	Yield
With 4-methoxy-2-(N-methylimidazolyl)phenylboronic acid; N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 20℃; for 7h; Inert atmosphere;	98%

: 1926-80-3
methyl 6-aminocaproate hydrochloride

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 50348-25-9
methyl 6-(3,4,5-trimethoxybenzamido)hexanoate

Conditions

Conditions	Yield
With triethylamine In chloroform-d1 at 0℃; Acylation;	97%

: 42195-97-1
4-(Ethyl)cyclohexylamine

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: N-(4-ethyl-cyclohexyl)-3,4,5-trimethoxy-benzamide

Conditions

Conditions	Yield
With triethylamine In benzene at 20℃; Acylation;	97%

: 89-51-0
Homophthalic acid

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 176972-44-4
3-(3,4,5-trimethoxyphenyl)-1H-2-benzopyran-1-one

Conditions

Conditions	Yield
at 150℃; Microwave irradiation;	97%
at 200℃;	87%

: 364-78-3
2-nitro-4-fluoroaniline

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 332015-13-1
[N-(4-Fluoro-2-nitrophenyl)]3,4,5-trimethoxybenzylamide

Conditions

Conditions	Yield
With pyridine In dichloromethane	97%
With pyridine In dichloromethane	66%

: 13325-10-5
4-Aminobutanol

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: N-(4-hydroxybutyl)-3,4,5-trimethoxybenzamide

Conditions

Conditions	Yield
Stage #1: 3,4,5-Trimethoxybenzoyl chloride With potassium carbonate In dichloromethane for 0.5h; Cooling with ice; Stage #2: 4-Aminobutanol In dichloromethane at 20℃; for 24h;	97%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 127951-19-3
(4S,5S)-4-Benzo[1,3]dioxol-5-yl-2,2-dimethyl-[1,3]dioxan-5-ylamine

: 127951-20-6, 127951-27-3
N-((4R,5R)-4-Benzo[1,3]dioxol-5-yl-2,2-dimethyl-[1,3]dioxan-5-yl)-3,4,5-trimethoxy-benzamide

Conditions

Conditions	Yield
With pyridine; dmap for 1.5h; 0 deg C to room temp.;	96%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 5,7,7-trimethyl-6-oxa-3-azabicyclo<3.2.2>nonane

: (3,4,5-Trimethoxy-phenyl)-((1R,5S)-5,7,7-trimethyl-6-oxa-3-aza-bicyclo[3.2.2]non-3-yl)-methanone

Conditions

Conditions	Yield
With triethylamine In benzene for 6h; Heating;	96%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 2-amino-1-(3,4,5-trimethoxyphenyl)ethanol acetic acid salt

: 38165-13-8
N-<2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl>-3,4,5-trimethoxybenzamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane for 0.75h;	96%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 178961-26-7
2-[(R)-3-(3,4-Dichloro-phenyl)-pyrrolidin-3-yl]-ethanol

: 177697-10-8
(R)-1-(3,4,5-trimethoxybenzoyl)-3-(3,4-dichlorophenyl)-3(2-hydroxyethyl)-pyrrolidine

Conditions

Conditions	Yield
With sodium hydroxide; sodium hydrogencarbonate In water; acetone at 0℃;	96%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 177697-12-0
2-[(S)-3-(3,4-Dichloro-phenyl)-pyrrolidin-3-yl]-ethanol

: 167262-66-0
(S)-1-(3,4,5-trimethoxybenzoyl)-3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine

Conditions

Conditions	Yield
With sodium hydroxide; sodium hydrogencarbonate In water; acetone at 0℃;	96%

: 6850-35-7
3-methylcyclohexan-1-amine

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 3,4,5-Trimethoxy-N-(3-methyl-cyclohexyl)-benzamide

Conditions

Conditions	Yield
In benzene Ambient temperature;	96%

: 2657-70-7, 3976-75-8, 62729-29-7, 86827-92-1
cis-3,4-dihydroxytetrahydrothiophene

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 245345-56-6
C24H28O10S

Conditions

Conditions	Yield
With pyridine at 20℃; Acylation;	96%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 264142-55-4
3-iodo-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene

: (6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl)(3,4,5-trimethoxyphenyl)methanone

Conditions

Conditions	Yield
With tert.-butyl lithium In tetrahydrofuran	96%

3,4,5-Trimethoxybenzoyl chloride Specification

The 3,4,5-Trimethoxybenzoyl chloride with CAS registry number of 4521-61-3 is also known as Benzoyl chloride, 3,4,5-trimethoxy-. The IUPAC name and product name are the same. It belongs to product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. Its EINECS registry number is 224-851-4. In addition, the formula is C₁₀H₁₁ClO₄ and the molecular weight is 230.65. This chemical is a white crystal and should be sealed in ventilated, dark and dry place.

Physical properties about 3,4,5-Trimethoxybenzoyl chloride are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 2.4; (4)ACD/BCF (pH 5.5): 39.23; (5)ACD/BCF (pH 7.4): 39.23; (6)ACD/KOC (pH 5.5): 481.21; (7)ACD/KOC (pH 7.4): 481.21; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.513; (11)Molar Refractivity: 56.53 cm³; (12)Molar Volume: 187.8 cm³; (13)Surface Tension: 36.3 dyne/cm; (14)Density: 1.227 g/cm³; (15)Flash Point: 141.9 °C; (16)Enthalpy of Vaporization: 55.59 kJ/mol; (17)Boiling Point: 314.7 °C at 760 mmHg; (18)Vapour Pressure: 0.000458 mmHg at 25 °C.

Preparation of 3,4,5-Trimethoxybenzoyl chloride: it is prepared by reaction of 3,4,5-trimethoxy-benzoyl chloride. The reaction needs reagent SOCl₂ with other condition of heating for 5 hours. The yield is about 92%.

3,4,5-Trimethoxybenzoyl chloride is prepared by reaction of 3,4,5-trimethoxy-benzoyl chloride.

Uses of 3,4,5-Trimethoxybenzoyl chloride: it is used to produce 1-(3,4,5-trimethoxy-benzoyl)-pyrrolidine by reaction with pyrrolidine. The reaction occurs with solvent tetrahydrofuran at ambient temperature for 1 hour. The yield is about 52%.

3,4,5-Trimethoxybenzoyl chloride is used to produce 1-(3,4,5-trimethoxy-benzoyl)-pyrrolidine by reaction with pyrrolidine.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to respiratory system. Besides, it reacts violently with water and also can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)Cl
2. InChI: InChI=1S/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3
3. InChIKey: BUHYMJLFRZAFBF-UHFFFAOYSA-N

Product Name

3,4,5-Trimethoxybenzoyl chloride

Synthetic route

3,4,5-Trimethoxybenzoyl chloride Specification

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