99-63-8

Usage

Uses

Used in Performance Polymers and Fibers:
1,3-Benzenedicarbonyl chloride is used as a monomer in the production of performance polymers and fibers, where it contributes to flame resistance, temperature stability, chemical resistance, and flexibility. Its presence in these materials enhances their overall performance and durability.
Used in Urethane Prepolymers:
1,3-Benzenedicarbonyl chloride is used as an effective stabilizer for urethane prepolymers due to its ability to scavenge water. This property helps prevent the degradation of the prepolymer and ensures its stability during processing and application.
Used in Aromatic Fiber Raw Materials:
1,3-Benzenedicarbonyl chloride is used in the production of aromatic fiber raw materials, where it plays a crucial role in the synthesis of the fibers. Its presence in the raw materials contributes to the development of high-performance fibers with desirable properties.
Used as a Crosslinking Agent:
1,3-Benzenedicarbonyl chloride acts as a crosslinking agent in various polymerization reactions. It helps in forming covalent bonds between polymer chains, resulting in the formation of a three-dimensional network structure. This crosslinking enhances the mechanical properties, thermal stability, and chemical resistance of the resulting polymers.
Used in Dyes, Synthetic Fibers, Resins, Films, Protective Coatings, and Laboratory Reagents:
1,3-Benzenedicarbonyl chloride is used as a chemical intermediate in the synthesis of various dyes, synthetic fibers, resins, films, protective coatings, and laboratory reagents. Its versatile reactivity and functional groups make it a valuable component in the production of these materials, contributing to their unique properties and applications.

Flammability and Explosibility

Nonflammable

InChI:InChI=1/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H

Synthetic route

isophthalic acid (121-91-5) → benzene-1,3-dicarbonyl dichloride (99-63-8)

Conditions	Yield
With thionyl chloride at 80℃; for 4h;	100%
With thionyl chloride In N,N-dimethyl acetamide; acetonitrile at 120℃; for 1h; Solvent; Large scale;	99.4%
With thionyl chloride In N,N-dimethyl-formamide	98%

phosgene (75-44-5) + isophthalic acid (121-91-5) → dimethyl Isophthalate (1459-93-4) + benzene-1,3-dicarbonyl dichloride (99-63-8)

Conditions	Yield
With pyridine In dichloromethane	A n/a B 100%

m-xylene (108-38-3) → benzene-1,3-dicarbonyl dichloride (99-63-8) + 3-Methylbenzoyl chloride (1711-06-4)

Conditions	Yield
Stage #1: m-xylene With N-hydroxyphthalimide; cobalt(II) phthalocyanine; μ-oxo[manganese(III) tetraphenylporphine]2; oxygen at 135℃; under 3750.38 Torr; Stage #2: With thionyl chloride Reagent/catalyst; Temperature; Pressure;	A 8.4% B 65.7%
Stage #1: m-xylene With manganese(IV) oxide; oxygen; cobalt(II) diacetate tetrahydrate at 156℃; under 7500.75 Torr; Stage #2: With thionyl chloride Reagent/catalyst; Temperature; Pressure;	A 58% B 25%

dimethyl Isophthalate (1459-93-4) → benzene-1,3-dicarbonyl dichloride (99-63-8)

Conditions	Yield
With chlorine at 220℃;

1,3-bis-trichloromethyl-benzene (881-99-2) → benzene-1,3-dicarbonyl dichloride (99-63-8)

Conditions	Yield
With water; iron(III) chloride at 130℃;
With titanium(IV) oxide at 270℃;
With maleic acid; zinc(II) chloride at 130℃;
With iron(III) chloride at 110℃; for 1h; Temperature;
With iron(III) chloride; isophthalic acid In melt at 100 - 110℃;

isophthalic acid (121-91-5) + acetyl chloride (75-36-5) → benzene-1,3-dicarbonyl dichloride (99-63-8)

Conditions	Yield
at 130℃;
at 130℃;

isophthalic acid (121-91-5) + 1,3-bis-trichloromethyl-benzene (881-99-2) → benzene-1,3-dicarbonyl dichloride (99-63-8)

Conditions	Yield
iron(III) chloride In benzene at 80℃; Rate constant; Kinetics; Mechanism; activation energy, reaction order;

ethanol (64-17-5) + isophthalic acid (121-91-5) → diethyl 3,3'-(1,3,4-oxadiazole-2,5-diyl)dibenzoate (2425-96-9) + benzene-1,3-dicarbonyl dichloride (99-63-8)

Conditions	Yield
Yield given. Multistep reaction;	A n/a B 4.2 g

isophthalic acid bis(trimethylsilyl)ester → benzene-1,3-dicarbonyl dichloride (99-63-8)

Conditions	Yield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane 1.) 0 deg C, 1 h, 2.) RT, 1 h;

thionyl chloride (7719-09-7) + isophthalic acid (121-91-5) → benzene-1,3-dicarbonyl dichloride (99-63-8)

isophthalic acid (121-91-5) + phosphorus pentachloride (10026-13-8, 874483-75-7) → benzene-1,3-dicarbonyl dichloride (99-63-8)

1,3-bis-trichloromethyl-benzene (881-99-2) + titanium (IV)-oxide + vanadium(V)-oxide → benzene-1,3-dicarbonyl dichloride (99-63-8)

Conditions	Yield
at 270℃;

Tributylphosphine oxide (814-29-9) + isophthalic acid (121-91-5) → benzene-1,3-dicarbonyl dichloride (99-63-8)

Conditions	Yield
With thionyl chloride

Isophthalaldehyde (626-19-7) + terephthalaldehyde, (623-27-8) → terephthaloyl chloride (100-20-9) + benzene-1,3-dicarbonyl dichloride (99-63-8)

Conditions	Yield
With chlorine at 43℃; for 0.5h; Product distribution / selectivity; visible light irradiation;

m-xylene (108-38-3) → benzene-1,3-dicarbonyl dichloride (99-63-8)

Conditions	Yield
Multi-step reaction with 2 steps 1: chlorine / 14 h / 60 - 180 °C 2: iron(III) chloride / 1 h / 110 °C View Scheme
Multi-step reaction with 2 steps 1: chlorine / 80 - 180 °C / Irradiation; Industrial scale 2: isophthalic acid; iron(III) chloride / melt / 100 - 110 °C View Scheme

glycine (56-40-6) + benzene-1,3-dicarbonyl dichloride (99-63-8) → [(3-{[(carboxymethyl)amino]carbonyl}benzoyl)amino]acetic acid (124842-39-3)

Conditions	Yield
Stage #1: glycine With sodium hydroxide In water at 10℃; Cooling with ice; Stage #2: benzene-1,3-dicarbonyl dichloride In water; toluene for 1h; pH=1;	100%
With sodium hydroxide In diethyl ether	87%
With sodium hydroxide
With sodium hydroxide

benzene-1,3-dicarbonyl dichloride (99-63-8) + ethyl (triphenylphosphoranylidene)acetate (1099-45-2) → 1,3-bis[(ethoxycarbonyl)(triphenylphosphoranylidene)acetyl]benzene

Conditions	Yield
With triethylamine In toluene at 20℃; for 12h; Acylation; transylidation;	100%

(S)-valinol (2026-48-4) + benzene-1,3-dicarbonyl dichloride (99-63-8) → N,N'-bis-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-isophthalamide (475110-08-8)

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 12h;	100%
With triethylamine In dichloromethane at 20℃; for 12h;	95%
With triethylamine In dichloromethane at 0 - 25℃; for 8h;	69%

L-Phenylalaninol (3182-95-4) + benzene-1,3-dicarbonyl dichloride (99-63-8) → N1,N3-bis[(S)-1-hydroxy-3-phenylpropan-2-yl]isophthalamide (475110-10-2)

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 12h;	100%
With triethylamine In dichloromethane at 0 - 25℃; for 8h;	70%
With triethylamine In dichloromethane at 0 - 20℃;	53%

1-methylaminopyrene hydrochloride (93324-65-3) + benzene-1,3-dicarbonyl dichloride (99-63-8) → N,N'-bis(1-pyrenylmethyl)isophthalamide

Conditions	Yield
With triethylamine In tetrahydrofuran Reflux;	100%
With triethylamine In dichloromethane at 20℃;	54%

2,2-bis(3-amino-4-hydroxyphenyl)hexafluoropropane (83558-87-6) + benzene-1,3-dicarbonyl dichloride (99-63-8) + 4,4'-bis(chlorocarbonyl)diphenyl oxide (7158-32-9) → poly(hexafluoro-2,2-bis(3-amino-4-hydroxyphenyl)propane-co-isophthaloyl chloride-co-4,4-oxydibenzoyl chloride)

Conditions	Yield
With pyridine In 1-methyl-pyrrolidin-2-one at 0 - 20℃;	100%

potassium thioacyanate (333-20-0) + benzene-1,3-dicarbonyl dichloride (99-63-8) → 1,3-benzenedicarbonyl diisothiocyanate (70112-91-3)

Conditions	Yield
In acetone at 20℃; for 1h;	100%
In benzene at 110 - 120℃; for 6h; Reflux;
In acetone at 20℃; for 1h;

5,10,15-tri[p-(9-methoxytriethylenenoxy)phenyl]-20-[p-hydroxyphenyl]porphyrin + benzene-1,3-dicarbonyl dichloride (99-63-8) → 5,10,15-tri[p-(9-methoxytriethyleneoxy)phenyl]-20-[p-phenylisophthalate chloride]porphyrin

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 20℃; for 24h;	100%

benzene-1,3-dicarbonyl dichloride (99-63-8) + benzene (71-43-2) → 1,3-dibenzoylbenzene (3770-82-9)

Conditions	Yield
With aluminium trichloride at 23℃; for 20h; Friedel-Crafts acylation;	99%
With aluminium trichloride
With aluminum (III) chloride Friedel Crafts acylation;
With aluminum (III) chloride
With aluminum (III) chloride at 20 - 60℃; for 20h; Inert atmosphere; Darkness;	10.52 g

benzene-1,3-dicarbonyl dichloride (99-63-8) + phenol (108-95-2) → diphenyl isophthalate (744-45-6)

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride In cyclohexane at 25℃; for 4h; Concentration; Temperature; Reflux;	98.87%
With N-benzyl-N,N,N-triethylammonium chloride In ethanol at 10℃; for 3h; Temperature; Reflux;	98.91%
With potassium carbonate In 1,2-dichloro-ethane at 10℃; for 4h; Concentration; Temperature; Solvent; Reagent/catalyst;	92.1%
In chloroform at 20℃; for 4.5h; Temperature; Concentration;	89.7%

1,2,4-Triazole (288-88-0) + benzene-1,3-dicarbonyl dichloride (99-63-8) → isophthaloyl bis(1,2,4-triazole)

Conditions	Yield
In dichloromethane at 20℃; for 1.5h;	98.8%

1,2,4-Triazole (288-88-0) + benzene-1,3-dicarbonyl dichloride (99-63-8) → isophthaloyl bis(1,2,4-triazole)

Conditions	Yield
In dichloromethane for 1.5h;	98.8%
With triethylamine In toluene for 36h; Schlenk technique; Inert atmosphere; Reflux;	54%

fluorobenzene (462-06-6) + benzene-1,3-dicarbonyl dichloride (99-63-8) → 1,3-bis(4'-fluorobenzoyl)benzene (108464-88-6)

Conditions	Yield
With aluminium trichloride at 23℃; for 4h; Friedel-Crafts acylation;	98%
Stage #1: benzene-1,3-dicarbonyl dichloride With aluminum (III) chloride In dichloromethane for 0.5h; Friedel-Crafts Acylation; Inert atmosphere; Reflux; Stage #2: fluorobenzene In dichloromethane for 12h; Friedel-Crafts Acylation; Inert atmosphere;	56%
Stage #1: benzene-1,3-dicarbonyl dichloride With aluminum (III) chloride In dichloromethane for 0.5h; Reflux; Stage #2: fluorobenzene In dichloromethane for 12h; Reflux;	42%
With aluminum (III) chloride for 8h; Friedel-Crafts Acylation; Inert atmosphere;	3.24 g

benzene-1,3-dicarbonyl dichloride (99-63-8) → isophthaloyl diazide (3027-36-9)

Conditions	Yield
With sodium azide In tetrahydrofuran; water for 1h; cooling;	98%
With sodium azide In N,N-dimethyl-formamide at 20℃; for 2h;
With sodium azide In tetrahydrofuran; water for 2h; Cooling with ice;

benzene-1,3-dicarbonyl dichloride (99-63-8) + 3,3-diphenyl-9-hydroxy-3H-naphtho[2,1-b]pyran → bis(3,3-biphenyl-3H-benzo[f]chromene-9-yl) isophthalic acid ester (1029134-36-8)

Conditions	Yield
With triethylamine In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 12h;	98%

toluene-4-sulfonic acid hydrazide (1576-35-8) + benzene-1,3-dicarbonyl dichloride (99-63-8) → C22H22N4O6S2

Conditions	Yield
In dichloromethane at 0℃; for 2h;	98%

4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINE (36768-62-4) + benzene-1,3-dicarbonyl dichloride (99-63-8) → N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-1,3-benzenedicarboxamide (42774-15-2)

Conditions	Yield
With aluminum (III) chloride; sodium hydroxide In toluene at 110℃; Concentration;	97.38%
With sodium hydroxide In water; isopropyl alcohol at 30 - 130℃; under 1125.11 - 2475.25 Torr; Alkaline aqueous solution;	95.3%
With sodium hydroxide In chloroform Solvent; Reflux;	94.9%
With sodium hydroxide In water at 7 - 25℃; for 3.5h; Alkaline aqueous solution;	83.6%
With sodium hydroxide In water; isopropyl alcohol at 100℃;	200 g

methyl thiocyanate (556-64-9) + benzene-1,3-dicarbonyl dichloride (99-63-8) → 2,2'-(1,3-Phenylen)bis<4,6-bis(methylthio)-1,3,5-oxadiazinium>-dihexachloroantimonat(V) (125077-78-3)

Conditions	Yield
With antimonypentachloride In tetrachloromethane for 2h; Ambient temperature;	97%

N-(benzyloxycarbonyl)-L-tyrosine methyl ester (13512-31-7) + benzene-1,3-dicarbonyl dichloride (99-63-8) → Isophthalic acid bis-[4-((S)-2-benzyloxycarbonylamino-2-methoxycarbonyl-ethyl)-phenyl] ester (226889-63-0)

Conditions	Yield
With dmap In dichloromethane; acetonitrile at 20℃; for 12h; Substitution;	97%

p-xylylidenediamine (539-48-0) + benzene-1,3-dicarbonyl dichloride (99-63-8) + (E)-But-2-enedioic acid bis-[(2,2-diphenyl-ethyl)-amide] → [2]-(1,2,14,20-tetraaza-2,6,15,19-tetraoxo-3,5,9,12,16,18,22,25-tetrabenzocyclohexacosane)-(E)-(N,N'-bis(2',2'-diphenylethyl)-2'-butenediamide)rotaxane

Conditions	Yield
With triethylamine In chloroform; acetonitrile	97%
With triethylamine In chloroform; acetonitrile for 2h;	97%

(1R,2S)-2-Amino-1,2-diphenylethanol (23190-16-1) + benzene-1,3-dicarbonyl dichloride (99-63-8) → N,N'-bis((1S,2R)-2-hydroxy-1,2-diphenylethyl)isophthalamide

Conditions	Yield
With triethylamine In dichloromethane for 4h; Heating;	97%
With triethylamine In tetrahydrofuran at 20℃;	43%
With triethylamine In dichloromethane

benzene-1,3-dicarbonyl dichloride (99-63-8) + 3,5-Bis-(trifluoromethyl)aniline (328-74-5) → N1,N3-bis(3,5-bis(trifluoromethyl)phenyl)benzene-1,3-dicarboxamide (181872-56-0)

Conditions	Yield
With triethylamine In chloroform at 40℃; for 70h;	97%
Stage #1: 3,5-Bis-(trifluoromethyl)aniline With triethylamine In N,N-dimethyl-formamide at 20℃; for 0.5h; Inert atmosphere; Stage #2: benzene-1,3-dicarbonyl dichloride In N,N-dimethyl-formamide at 20℃; for 4h; Inert atmosphere;	72%
With dmap; triethylamine In N,N-dimethyl-formamide at 0 - 75℃;	52%
With dmap; triethylamine In dichloromethane at 20℃; for 24h;	22%

benzene-1,3-dicarbonyl dichloride (99-63-8) + 4-amino-1,5-naphthalenedisulphonic acid disodium salt → tetrasodium 4,4'-[1,3-phenylenebis(carbonylimino)]bis-1,5-naphthalenedisulfonate

Conditions	Yield
With sodium carbonate In chloroform; water at 0 - 25℃;	97%

N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) + benzene-1,3-dicarbonyl dichloride (99-63-8) → N1,N3-bismethoxy-N1,N3-dimethyl-1,3-benzenedicarboxamide (1458033-48-1)

Conditions	Yield
Stage #1: N,O-dimethylhydroxylamine*hydrochloride With triethylamine In dichloromethane at 0℃; Stage #2: benzene-1,3-dicarbonyl dichloride In dichloromethane at 0 - 20℃;	97%
Stage #1: N,O-dimethylhydroxylamine*hydrochloride With triethylamine In dichloromethane at 0℃; for 0.166667h; Inert atmosphere; Stage #2: benzene-1,3-dicarbonyl dichloride In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;	97%

meta-aminobenzoic acid (99-05-8) + benzene-1,3-dicarbonyl dichloride (99-63-8) → 3,3'-(Isophthaloylbis(azanediyl))dibenzoic acid

Conditions	Yield
With pyridine at 20℃;	97%

2,4-Dichloroaniline (554-00-7) + benzene-1,3-dicarbonyl dichloride (99-63-8) → N,N'-bis(2,4-dichlorophenyl)isophthalamide

Conditions	Yield
With potassium hydroxide In acetonitrile at 20℃; Inert atmosphere;	97%

tert-butylamine (75-64-9) + benzene-1,3-dicarbonyl dichloride (99-63-8) → N1,N3-di-tert-butylisophthalamide (82292-40-8)

Conditions	Yield
In dichloromethane for 2h; Acylation;	96%

benzene-1,3-dicarbonyl dichloride (99-63-8) + (9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl)methanol (475290-46-1) → bis{[9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl]methyl} isophthalate

Conditions	Yield
With dmap In dichloromethane at 20℃; for 2h;	96%

Upstream product

• 121-91-5 isophthalic acid 
• 75-36-5 acetyl chloride 
• 64-17-5 ethanol 
• 7719-09-7 thionyl chloride 
• 10026-13-8 phosphorus pentachloride 
• 881-99-2 1,3-bis-trichloromethyl-benzene 
• 814-29-9 Tributylphosphine oxide 
• 75-44-5 phosgene 
• 626-19-7 Isophthalaldehyde 
• 623-27-8 terephthalaldehyde, 
• 108-38-3 m-xylene 
• 1459-93-4 dimethyl Isophthalate 

Downstream Products

• 74048-19-4 1,3-bis(diazoacetyl)benzene 
• 70584-06-4 1,3-bis(3,5-dimethylpyrazolyl-1-carbonyl)benzene 
• 6370-78-1 N,N'-bis-(5-benzoylamino-9,10-dioxo-9,10-dihydro-[1]anthryl)-isophthalamide 
• 15517-45-0 1,4-phenylenebis[(4-methoxypheny)lmethanone] 
• 7477-29-4 1,3-phenylenebis[(4-methoxyphenyl)methanone] 
• 5436-05-5 1, 3-phenylenebis ((4-hydroxyphenyl)methanone) 
• 14334-36-2 N,N,N',N'-tetramethyl-1,3-benzenedicarboxamide 
• 13698-87-8 N¹,N¹,N³,N³-tetraethylisophthalamide 
• 1087-21-4 diallyl isophthalate 
• 124842-39-3 [(3-{[(carboxymethyl)amino]carbonyl}benzoyl)amino]acetic acid 
• 1459-93-4 dimethyl Isophthalate 
• 207229-44-5 isophthalic acid bis-(2-dimethylamino-ethyl ester) 
• 4073-84-1 isophthalic acid di-p-tolyl ester 
• 64985-88-2 Isophthaloyl cyanide 

Relevant academic research and scientific papers

G4 Sensing Pyridyl-Thiazole Polyamide Represses c-KIT Expression in Leukemia Cells

Specific sensing and functional tuning of nucleic acid secondary structures remain less explored to date. Herein, we report a thiazole polyamide TPW that binds specifically to c-KIT1 G-quadruplex (G4) with sub-micromolar affinity and ～1 : 1 stoichiometry and represses c-KIT proto-oncogene expression. TPW shows up to 10-fold increase in fluorescence upon binding with c-KIT1 G4, but shows weak or no quantifiable binding to other G4s and ds26 DNA. TPW can increase the number of G4-specific antibody (BG4) foci and mark G4 structures in cancer cells. Cell-based assays reveal that TPW can efficiently repress c-KIT expression in leukemia cells via a G4-dependent process. Thus, the polyamide can serve as a promising probe for G-quadruplex recognition with the ability to specifically alter c-KIT oncogene expression.

Anion binding and fluoride ion induced conformational changes in bisurea receptors

Two types of bisurea receptors, containing either 2,6-substituted phenyl or 2,6-substituted pyridine, are prepared, and their anion binding properties are investigated. Compared with the phenyl bisurea receptors, the pyridine bisurea receptors can be more easily converted to a cis-cis conformation from a trans-trans conformation, providing a cavity that more closely matches the volume of a fluoride ion and increasing the number of NH sites bound to the fluoride ion. As a result, the pyridine bisurea in cis-cis conformation shows stronger affinity and higher selectivity to fluoride ions, which is supported by crystal structure analysis and NMR titration experiments. Through DFT calculations, a mechanism of fluoride ion induced conformational changes of pyridine bisurea receptors is proposed, and the energy barriers of conformational changes for both types of receptors are determined.

Br?nsted acid-catalyzed chlorination of aromatic carboxylic acids

The chlorination of aromatic carboxylic acids with SOCl2 has been effectively performed by reacting with a Br?nsted acid as the catalyst. Based on this discovery, an efficient catalytic method that is cheaper than traditional catalytic methods was developed. 20 substrates were chlorinated offering excellent yields in a short reaction time. And the SOCl2/Br?nsted acid system has been used in a larger scale preparative reaction. A dual activation mechanism was proposed to prove the irreplaceable system of SOCl2/Br?nsted acid.

Method for increasing reaction speed of isophthaloyl dichloride

The invention belongs to the technical field of organic synthesis, and particularly relates to a method for increasing the reaction speed of isophthaloyl dichloride. The method comprises the followingsteps: adding acetonitrile into thionyl chloride, adding a mixture of thionyl chloride and acetonitrile, isophthalic acid and a catalyst into a reaction kettle, carrying out a reflux reaction, and carrying out after-treatment after the reaction is finished, thereby obtaining isophthaloyl dichloride. Compared with a traditional thionyl chloride method, acetonitrile is added as an auxiliary catalyst, so the reaction activity of isophthalic acid is improved, reaction time is greatly shortened by 30%, and yield is increased; and the purity of the produced isophthaloyl dichloride reaches 99.92% orabove, and the yield is greater than 99%.

Synthesis, antimicrobial activity, and ion transportation investigation of four new [1 + 1] condensed furan and thiophene-based cycloheterophane amides

Four new macrocyclic compounds with thiophene (L1 and L2) and furan (L3 and L4) rings were synthesized and characterized by IR, 1H NMR, 13C NMR, and Q-TOF spectral data. Macrocyclic amides (L1, L2, L3, and L4) were tested for ion transportation with Na+ and K+ ions, and also, antimicrobial activities were investigated against the Gram-negative Escherichia coli ATCC 25922, Gram-positive Staphylococcus aureus ATCC 25923, Gram-negative Listeria monocytogenes ATCC 19115, Gram-negative Salmonella typhimurium ATCC 14028, Bacillus cereus bacteria, and Candida albicans ATCC 10231 for all amides.

Assembly Pattern of Supramolecular Hydrogel Induced by Lower Critical Solution Temperature Behavior of Low-Molecular-Weight Gelator

Although the gelation process and lower critical solution temperature (LCST) behavior are well acknowledged in polymer systems, low-molecular-weight gelators (LMWGs) rarely display LCST behavior during supramolecular gelation. Herein, we report an LMWG system with LCST-type thermoresponsiveness and an LCST-triggered supramolecular gelation process. Temperature plays a crucial role in this system, not only affecting the LCST phase separation but also triggering the gelation process. The backbones (three-dimensional structures) of the resulting hydrogel are the hierarchical assemblies of the LMWG undergoing the LCST phase separation. Hence, the gelation of the LMWG is only realized when the gelation temperature is above the critical transition temperature (Tcloud) of the LCST behavior, which is different from many supramolecular or polymeric hydrogel systems.

NADP-dependent glutamate dehydrogenases in a dimorphic zygomycete Benjaminiella poitrasii: Purification, characterization and their evaluation as an antifungal drug target

Background: It has been reported that the genes coding for NADP-dependent glutamate dehydrogenases (NADP-GDHs) showed a cause-effect relationship with Yeast-Hypha (Y[sbnd]H) reversible transition in a zygomycete Benjaminiella poitrasii. As Y[sbnd]H transition is significant in human pathogenic fungi for their survival and proliferation in the host, the NADP-GDHs can be explored as antifungal drug targets. Methods: The yeast-form specific BpNADPGDH I and hyphal-form specific BpNADPGDH II of B. poitrasii were purified by heterologous expression in E. coli BL-21 cells and characterized. The structural analogs of L-glutamate, dimethyl esters of isophthalic acid (DMIP) and its derivatives were designed, synthesized and screened for inhibition of NADP-GDH activity as well as Y[sbnd]H transition in B. poitrasii, and also in human pathogenic Candida albicans strains. Results: The BpNADPGDH I and BpNADPGDH II were found to be homo-hexameric proteins with native molecular mass of 282 kDa and 298 kDa, respectively and subunit molecular weights of 47 kDa and 49 kDa, respectively. Besides the distinct kinetic properties, BpNADPGDH I and BpNADPGDH II were found to be regulated by cAMP-dependent- and Calmodulin (CaM) dependent- protein kinases, respectively. The DMIP compounds showed a more pronounced effect on H-form specific BpNADPGDH II and inhibited Y[sbnd]H transition as well as growth in B. poitrasii and C. albicans strains. Conclusion: The present study will be useful to design and develop antifungal drugs against dimorphic human pathogens using glutamate dehydrogenase as a target. Significance: Glutamate dehydrogenases can be explored as a target against human pathogenic fungi.

Method for synthesizing 3.5-dichlorobenzene formyl chloride

The invention provides a synthesis method of 3, 5-dichlorobenzene formyl chloride, relating to the technical field of fine chemical engineering. The synthesis method of 3.5-dichlorobenzene formyl chloride comprises the following steps: taking isophthalic acid and trichlorotoluene as raw material under the action of a catalyst reacting at 50-150 DEG C to obtain crude m-phthaloyl chloride; distilling crude m-phthaloyl chloride under reduced pressure at 0.098mpa to obtain refined m-phthaloyl chloride and catalyst; chlorine is introduced at 70-150 DEG C for 4 hours at the rate of 100 mL/min-200 mL/min to obtain 5-dichlorobenzene formyl chloride. The decarbonylation of distilled 5-chloroisophthaloyl chloride is carried out under the action of catalyst at 200-280 DEG C to obtain 3,5-dichlorobenzene formyl chloride. The synthesis method of 3,5-dichlorobenzene formyl chloride has the advantages of high conversion rate, simple operation, little pollution and the like.

In vitro anticancer potentiality and molecular modelling study of novel amino acid derivatives based on N1,N3-bis-(1-hydrazinyl-1-oxopropan-2-yl) isophthalamide

A series of N1,N3-bis (1-oxopropan-2-yl) isophthalamide-based derivatives 4–16 were prepared and their structures were confirmed by different spectral tools. The cytotoxic potentiality of novel compounds 4–16 was assessed by the MTT assay method on colon, lung and breast tumour cell lines. Compound 5 gave the most significant specificity anticancer activity with safety response on normal cell lines. In vitro enzyme assay and several apoptotic parameters were examined to elucidate the mode of action of compound 5. Molecular docking studies also were simulated to put insight and give better understanding to its structural features.

Isophthalic chloride synthesis process (by machine translation)

The invention relates to a kind of isophthalic chloride synthesis process, steps are as follows: (1) takes xylene, in the 100 - 105 °C to its access excessive COCl2 , By 4 - 10 hours reaction, to obtain the 1, 3 - di (trichloromethyl) benzene thick; (2) taking steps (1) to make the 1, 3 - di (trichloromethyl) benzene thick with the isophthalic acid, in N, N - dimethyl formamide under the catalytic action, 110 - 130 °C reaction 2 - 8 hours, until the non-hydrogen chloride gas is released, the resulting reaction solution obtained by rectification of the isophthalic chloride. The invention has high purity, high yield. The process is simple, raw materials are easy, convenient operation, low cost, easy to treat the exhaust gas, the product quality is high, and the quality is stable, not harmful to the environment and the like, and is suitable for industrial production. (by machine translation)