[ CAS No. 84-67-3 ] {[proInfo.proName]}

Name: 84-67-3|2,2'-Dimethyl-[1,1'-biphenyl]-4,4'-diamine|97%
Brand: Ambeed
SKU: A187639
Price: 7.0 USD
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3d Animation Molecule Structure of 84-67-3

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Quality Control of [ 84-67-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 84-67-3 ]

SDS Specification

Alternatived Products of [ 84-67-3 ]

Product Details of [ 84-67-3 ]

CAS No. :	84-67-3	MDL No. :	MFCD02269175
Formula :	C₁₄H₁₆N₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QYIMZXITLDTULQ-UHFFFAOYSA-N
M.W :	212.29	Pubchem ID :	66537
Synonyms :

Calculated chemistry of [ 84-67-3 ]

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.14
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	2.0
Molar Refractivity :	70.62
TPSA :	52.04 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.52 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.02
Log Po/w (XLOGP3) :	2.92
Log Po/w (WLOGP) :	3.15
Log Po/w (MLOGP) :	2.95
Log Po/w (SILICOS-IT) :	3.03
Consensus Log Po/w :	2.81

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.48
Solubility :	0.0695 mg/ml ; 0.000327 mol/l
Class :	Soluble
Log S (Ali) :	-3.67
Solubility :	0.045 mg/ml ; 0.000212 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.98
Solubility :	0.00223 mg/ml ; 0.0000105 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.52

Safety of [ 84-67-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 84-67-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 84-67-3 ]
Downstream synthetic route of [ 84-67-3 ]

[ 84-67-3 ] Synthesis Path-Upstream 1~7

1
[ 59517-20-3 ]
[ 84-67-3 ]

Reference： [1] Journal of the American Chemical Society, 1956, vol. 78, p. 1997,1999
[2] Journal of Organic Chemistry, 1957, vol. 22, p. 101,104

2
[ 1221066-39-2 ]
[ 84-67-3 ]

Reference： [1] European Journal of Organic Chemistry, 2010, # 6, p. 1096 - 1110

3
[ 99-08-1 ]
[ 84-67-3 ]

Reference： [1] Chem. Zentralbl., 1902, vol. 73, # II, p. 1447
[2] Journal of the Chemical Society, 1965, p. 3706 - 3716
[3] Chemische Berichte, 1878, vol. 11, p. 1625
[4] Photochemical and Photobiological Sciences, 2018, vol. 17, # 3, p. 290 - 301

4
[ 5326-38-5 ]
[ 84-67-3 ]

Reference： [1] Journal of the American Chemical Society, 1956, vol. 78, p. 1997,1999

5
[ 621-26-1 ]
[ 84-67-3 ]

Reference： [1] Chemische Berichte, 1878, vol. 11, p. 1625
[2] Photochemical and Photobiological Sciences, 2018, vol. 17, # 3, p. 290 - 301

6
[ 588-04-5 ]
[ 84-67-3 ]

Reference： [1] Chemische Berichte, 1895, vol. 28, p. 2553
[2] Chemische Berichte, 1889, vol. 22, p. 841
[3] Chemische Berichte, 1878, vol. 11, p. 1625
[4] Patent: DE172569, , ,

7
[ 84-67-3 ]
[ 69571-02-4 ]

Reference： [1] Organic Magnetic Resonance, 1981, vol. 17, # 4, p. 250 - 256

[ 84-67-3 ] Synthesis Path-Downstream 1~68

1
[ 99-08-1 ]
[ 84-67-3 ]

Reference： [1]Chemisches Zentralblatt,1902,vol. 73,p. 1447
[2]Journal of the Chemical Society,1965,p. 3706 - 3716
[3]Chemische Berichte,1878,vol. 11,p. 1625
[4]Photochemical and Photobiological Sciences,2018,vol. 17,p. 290 - 301

2
[ 59517-20-3 ]
[ 84-67-3 ]

Reference： [1]Journal of the American Chemical Society,1956,vol. 78,p. 1997,1999
[2]Journal of Organic Chemistry,1957,vol. 22,p. 101,104

3
[ 84-67-3 ]
[ 151-50-8 ]
[ 117490-51-4 ]

Reference： [1]Chemische Berichte,1940,vol. 73,p. 33,35, 39, 898, 899, 908

4
[ 84-67-3 ]
[ 605-39-0 ]

Reference： [1]Journal of Organic Chemistry,1952,vol. 17,p. 523,527
[2]Patent: US2845466,1955,
[3]Chemische Berichte,1895,vol. 28,p. 2553

5
[ 84-67-3 ]
[ 19482-15-6 ]

Reference： [1]Journal of the Chemical Society,1938,p. 967,972

6
[ 84-67-3 ]
[ 108-24-7 ]
[ 96000-61-2 ]

Yield	Reaction Conditions	Operation in experiment
97%	at 20℃; for 24h;	5.00 g (23.55 mmol) of <strong>[84-67-3]4,4'-diamino-2,2'-dimethylbiphenyl</strong> (1) was ground into a powder, and then vigorously stirred in 337 mL of acetic anhydride, and reacted at room temperature for 24 hours. . After the reaction, the mixture was directly filtered, and the precipitate was collected and washed with water to neutral. After drying, 6.79 g of white solid (yield: 97percent).That is, 4,4'-diethylamino-2,2'-dimethylbiphenyl (2).

Reference： [1]Patent: TWI623512,2018,B .Location in patent: Paragraph 0051-0052
[2]Chemische Berichte,1889,vol. 22,p. 841

7
[ 84-67-3 ]
[ 141-97-9 ]
<i>N</i>,<i>N</i>'-(2,2'-dimethyl-biphenyl-4,4'-diyl)-bis-acetoacetamide [ No CAS ]

Reference： [1]Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry,1952,vol. 55,p. 75,77
Chem.Abstr.,1954,p. 6388

8
[ 84-67-3 ]
[ 100-52-7 ]
[ 96968-76-2 ]

Reference： [1]Chemische Berichte,1895,vol. 28,p. 2553

9
[ 84-67-3 ]
[ 90-02-8 ]
[ 23072-76-6 ]

Reference： [1]Chemische Berichte,1895,vol. 28,p. 2553

10
[ 84-67-3 ]
[ 64-19-7 ]
[ 96000-61-2 ]

Reference： [1]Chemische Berichte,1895,vol. 28,p. 2553

11
[ 588-04-5 ]
[ 84-67-3 ]

Reference： [1]Chemische Berichte,1895,vol. 28,p. 2553
[2]Chemische Berichte,1889,vol. 22,p. 841
[3]Chemische Berichte,1878,vol. 11,p. 1625
[4]Patent: DE172569,

12
[ 621-26-1 ]
[ 84-67-3 ]

Reference： [1]Chemische Berichte,1878,vol. 11,p. 1625
[2]Photochemical and Photobiological Sciences,2018,vol. 17,p. 290 - 301

13
[ 84-67-3 ]
[ 121-90-4 ]
[ 104294-86-2 ]

Reference： [1]Ukrainskij Khimicheskij Zhurnal,1957,vol. 23,p. 496,499
Chem.Abstr.,1958,p. 6273

14
[ 98-01-1 ]
[ 84-67-3 ]
[ 151-50-8 ]
[ 139555-38-7 ]